4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid
TL;DR: 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid (CAS 16261-80-6) is a chemical compound with molecular formula C10H6F6O3 and molecular weight 288.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzoic acid
Also Known As: 4-(2-Hydroxyhexafluoroisopropyl)benzoic acid, 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzoic acid, 3-(5'-Indole)phenyl acetic acid, 4-(Hexafluoro-2-hydroxyisopropyl)benzoic acid, p-[2-Hydroxyhexafluoroisopropyl]benzoic acid
| Molecular Formula | C10H6F6O3 |
|---|---|
| Molecular Weight | 288.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.02213 |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 16261-80-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | DLJNNINHDYILFL-UHFFFAOYSA-N |
Product Overview
4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid (CAS 16261-80-6), with molecular formula C10H6F6O3 and molecular weight 288.02 g/mol. IUPAC: 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzoic acid.
Chemical Property Profile of 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid
Property Insights of 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid?
The CAS number of 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid is 16261-80-6.
What is the molecular formula of 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid?
The molecular formula of 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid is C10H6F6O3.
What is the molecular weight of 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid?
The molecular weight of 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid is 288.02 g/mol.
Where can I buy 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid?
You can request a quote for 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.