4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid
TL;DR: 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid (CAS 71023-01-3) is a chemical compound with molecular formula C16H15ClO2S and molecular weight 306.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid
Also Known As: 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid, 3-([1,1'-Biphenyl]-4-yl)-4-chloro-3-hydroxybutanethioic S-acid
| Molecular Formula | C16H15ClO2S |
|---|---|
| Molecular Weight | 306.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.04813 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 71023-01-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)S)(CCl)O |
| InChIKey | MDFSTQLPBVMPEN-UHFFFAOYSA-N |
Product Overview
4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid (CAS 71023-01-3), with molecular formula C16H15ClO2S and molecular weight 306.05 g/mol. IUPAC: 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid.
Chemical Property Profile of 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid
Property Insights of 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid
The XLogP value of 3.1 indicates that 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid has 2 hydrogen bond donor(s) and 3 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-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid?
The CAS number of 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid is 71023-01-3.
What is the molecular formula of 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid?
The molecular formula of 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid is C16H15ClO2S.
What is the molecular weight of 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid?
The molecular weight of 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid is 306.05 g/mol.
Where can I buy 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid?
You can request a quote for 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-3-hydroxy-3-(4-phenylphenyl)butanethioic S-acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.