Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)-
TL;DR: Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)- (CAS 79332-47-1) is a chemical compound with molecular formula C14H10Cl2O2S and molecular weight 311.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dichloro-2-phenylsulfanylphenyl)acetic acid
Also Known As: Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)-, AE-641/00347034, 2-(3,5-dichloro-2-phenylsulfanylphenyl)acetic acid, Benzeneacetic acid,3,5-dichloro-2-(phenylthio), [3,5-DICHLORO-2-(PHENYLSULFANYL)PHENYL]ACETIC ACID
| Molecular Formula | C14H10Cl2O2S |
|---|---|
| Molecular Weight | 311.98 g/mol |
| LogP | 4.7717 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.97784 |
| Heavy Atoms | 19 |
| Complexity | 599.895 |
Chemical Identifiers
| CAS Number | 79332-47-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C=C(C=C2Cl)Cl)CC(=O)O |
Product Overview
Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)- (CAS 79332-47-1), with molecular formula C14H10Cl2O2S and molecular weight 311.98 g/mol. IUPAC: 2-(3,5-dichloro-2-phenylsulfanylphenyl)acetic acid.
Chemical Property Profile of Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)-
Property Insights of Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)-
The XLogP value of 4.7717 indicates that Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)- has 1 hydrogen bond donor(s) and 2 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 Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)-?
The CAS number of Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)- is 79332-47-1.
What is the molecular formula of Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)-?
The molecular formula of Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)- is C14H10Cl2O2S.
What is the molecular weight of Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)-?
The molecular weight of Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)- is 311.98 g/mol.
Where can I buy Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)-?
You can request a quote for Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 3,5-dichloro-2-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.