![4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid structure](/static/products/4336/433696-55-0.webp)
4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid
TL;DR: 4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid (CAS 433696-55-0) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(2-phenylacetyl)carbamothioylamino]benzoic acid
Also Known As: 4-methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid, 4-methyl-3-[(2-phenylacetyl)carbamothioylamino]benzoic acid, 4-METHYL-3-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 4-methyl-3-({[(phenylacetyl)amino]carbonothioyl}amino)benzoic acid, 4-METHYL-3-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 2.74892 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 744.7586 |
Chemical Identifiers
| CAS Number | 433696-55-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)CC2=CC=CC=C2 |
Product Overview
4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid (CAS 433696-55-0), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: 4-methyl-3-[(2-phenylacetyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid
Property Insights of 4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid
The XLogP value of 2.74892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid has 3 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 4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid?
The CAS number of 4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid is 433696-55-0.
What is the molecular formula of 4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid?
The molecular formula of 4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid is C17H16N2O3S.
What is the molecular weight of 4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid?
The molecular weight of 4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid is 328.09 g/mol.
Where can I buy 4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid?
You can request a quote for 4-Methyl-3-{[(phenylacetyl)carbamothioyl]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-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-{[(phenylacetyl)carbamothioyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.