![3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid structure](/static/products/6407/640757-94-4.webp)
3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid
TL;DR: 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid (CAS 640757-94-4) is a chemical compound with molecular formula C23H20N2O4S and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[(3-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3-(3-(3-(benzyloxy)benzoyl)thioureido)-2-methylbenzoic acid, 3-[({[3-(benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid, 2-methyl-3-[(3-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid, 2-methyl-3-[(3-phenylmethoxybenzoyl)thiocarbamoylamino]benzoic Acid
| Molecular Formula | C23H20N2O4S |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 4.39902 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.11438 |
| Heavy Atoms | 30 |
| Complexity | 1083.571 |
Chemical Identifiers
| CAS Number | 640757-94-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)O |
Product Overview
3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid (CAS 640757-94-4), with molecular formula C23H20N2O4S and molecular weight 420.11 g/mol. IUPAC: 2-methyl-3-[(3-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid
Property Insights of 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid
The XLogP value of 4.39902 indicates that 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic 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 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic 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 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid?
The CAS number of 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid is 640757-94-4.
What is the molecular formula of 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid?
The molecular formula of 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid is C23H20N2O4S.
What is the molecular weight of 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid?
The molecular weight of 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid is 420.11 g/mol.
Where can I buy 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid?
You can request a quote for 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.