8015-3517 Screening compound: 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl acetate

8015-3517 Screening compound: 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl acetate
8015-3517 Screening compound: 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3517
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8015-3517

Molecular Formula

C13H12F6O3 (C13 H12 F6 O3)

Compound Name

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl acetate

IUPAC name

4-(111333-hexafluoro-2-hydroxypropan-2-yl)-26-dimethylphenyl acetate

SMILES

CC(Oc1c(C)cc(C(C(F)(F)F)(C(F)(F)F)O)cc1C)=O

InChI

InChI=1S/C13H12F6O3/c1-6-4-9(5-7(2)10(6)22-8(3)20)11(21,12(14,15)16)13(17,18)19/h4-5,21H,1-3H3

InChI Key

NGOJBGBJCWLLDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.705

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-3.96

Polar Surface Area

36.231

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with 8015-3517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3517?
Check Price and Availability of 8015-3517, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-3517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3517
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8015-3517 available by request