![2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid structure](/static/products/5315/531535-68-9.webp)
2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid
TL;DR: 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid (CAS 531535-68-9) is a chemical compound with molecular formula C16H13ClN2O4S and molecular weight 364.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid, AN-465/41522332, 2-chloro-5-({[(3-methoxybenzoyl)amino]carbothioyl}amino)benzoic acid, 2-chloro-5-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid, 2-chloro-5-[3-(3-methoxy-benzoyl)-thioureido]-benzoic acid
| Molecular Formula | C16H13ClN2O4S |
|---|---|
| Molecular Weight | 364.03 g/mol |
| LogP | 3.1736 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.02844 |
| Heavy Atoms | 24 |
| Complexity | 810.4145 |
Chemical Identifiers
| CAS Number | 531535-68-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O |
Product Overview
2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid (CAS 531535-68-9), with molecular formula C16H13ClN2O4S and molecular weight 364.03 g/mol. IUPAC: 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid
Property Insights of 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid
The XLogP value of 3.1736 indicates that 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid has 3 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 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid?
The CAS number of 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid is 531535-68-9.
What is the molecular formula of 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid?
The molecular formula of 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid is C16H13ClN2O4S.
What is the molecular weight of 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid?
The molecular weight of 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid is 364.03 g/mol.
Where can I buy 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid?
You can request a quote for 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]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-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.