3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid
TL;DR: 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid (CAS 75893-91-3) is a chemical compound with molecular formula C16H16O3S and molecular weight 288.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxypropan-2-yl)-2-phenylsulfanylbenzoic acid
Also Known As: 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid, 3-(2-hydroxypropan-2-yl)-2-phenylsulfanyl-benzoic acid, 3-(2-hydroxypropan-2-yl)-2-phenylsulfanylbenzoic acid
| Molecular Formula | C16H16O3S |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.082 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 75893-91-3 |
|---|---|
| SMILES | CC(C)(C1=CC=CC(=C1SC2=CC=CC=C2)C(=O)O)O |
| InChIKey | SHDQZIMTSTWQCA-UHFFFAOYSA-N |
Product Overview
3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid (CAS 75893-91-3), with molecular formula C16H16O3S and molecular weight 288.08 g/mol. IUPAC: 3-(2-hydroxypropan-2-yl)-2-phenylsulfanylbenzoic acid.
Chemical Property Profile of 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid
Property Insights of 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid
The XLogP value of 3.2 indicates that 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid. Following Lipinski's Rule of Five, 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid has 2 hydrogen bond donor(s) and 4 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 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid?
The CAS number of 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid is 75893-91-3.
What is the molecular formula of 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid?
The molecular formula of 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid is C16H16O3S.
What is the molecular weight of 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid?
The molecular weight of 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid is 288.08 g/mol.
Where can I buy 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid?
You can request a quote for 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Hydroxypropan-2-yl)-2-(phenylsulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.