2-Acetamido-6-(phenylthio)benzoic acid
TL;DR: 2-Acetamido-6-(phenylthio)benzoic acid (CAS 84455-38-9) is a chemical compound with molecular formula C15H13NO3S and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-6-phenylsulfanylbenzoic acid
Also Known As: 2-Acetamido-6-(phenylthio)benzoic acid, EINECS 282-900-5, 2-acetamido-6-phenylsulfanylbenzoic acid, 2-(Acetylamino)-6-(phenylthio)benzoic acid, 2-ACETAMIDO-6-(PHENYLSULFANYL)BENZOIC ACID
| Molecular Formula | C15H13NO3S |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 3.4944 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.0616 |
| Heavy Atoms | 20 |
| Complexity | 640.82184 |
Chemical Identifiers
| CAS Number | 84455-38-9 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=CC=C1)SC2=CC=CC=C2)C(=O)O |
Product Overview
2-Acetamido-6-(phenylthio)benzoic acid (CAS 84455-38-9), with molecular formula C15H13NO3S and molecular weight 287.06 g/mol. IUPAC: 2-acetamido-6-phenylsulfanylbenzoic acid.
Chemical Property Profile of 2-Acetamido-6-(phenylthio)benzoic acid
Property Insights of 2-Acetamido-6-(phenylthio)benzoic acid
The XLogP value of 3.4944 indicates that 2-Acetamido-6-(phenylthio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetamido-6-(phenylthio)benzoic acid. Following Lipinski's Rule of Five, 2-Acetamido-6-(phenylthio)benzoic 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 2-Acetamido-6-(phenylthio)benzoic acid?
The CAS number of 2-Acetamido-6-(phenylthio)benzoic acid is 84455-38-9.
What is the molecular formula of 2-Acetamido-6-(phenylthio)benzoic acid?
The molecular formula of 2-Acetamido-6-(phenylthio)benzoic acid is C15H13NO3S.
What is the molecular weight of 2-Acetamido-6-(phenylthio)benzoic acid?
The molecular weight of 2-Acetamido-6-(phenylthio)benzoic acid is 287.06 g/mol.
Where can I buy 2-Acetamido-6-(phenylthio)benzoic acid?
You can request a quote for 2-Acetamido-6-(phenylthio)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetamido-6-(phenylthio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetamido-6-(phenylthio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.