![4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5329/532937-45-4.webp)
4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid
TL;DR: 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 532937-45-4) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 4-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid, 4-[(3-methoxybenzoyl)thiocarbamoylamino]benzoic Acid, 4-[3-(3-methoxy-benzoyl)-thioureido]-benzoic acid, 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C16H14N2O4S |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 2.5202 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.0674 |
| Heavy Atoms | 23 |
| Complexity | 744.00037 |
Chemical Identifiers
| CAS Number | 532937-45-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 532937-45-4), with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol. IUPAC: 4-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid
Property Insights of 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 2.5202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-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 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid is 532937-45-4.
What is the molecular formula of 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid is C16H14N2O4S.
What is the molecular weight of 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid is 330.07 g/mol.
Where can I buy 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[[(3-Methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.