![2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid structure](/static/products/5329/532936-86-0.webp)
2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid
TL;DR: 2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid (CAS 532936-86-0) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzoylcarbamothioylamino)-2-methylbenzoic acid
Also Known As: 3-(3-Benzoylthioureido)-2-methylbenzoic acid, 3-(benzoylcarbamothioylamino)-2-methylbenzoic acid, 2-methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid, 3-(benzoylthiocarbamoylamino)-2-methyl-benzoic Acid, 3-([(benzoylamino)carbonothioyl]amino)-2-methylbenzoic acid
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 2.82002 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 729.4257 |
Chemical Identifiers
| CAS Number | 532936-86-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CC=C2)C(=O)O |
Product Overview
2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid (CAS 532936-86-0), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: 3-(benzoylcarbamothioylamino)-2-methylbenzoic acid.
Chemical Property Profile of 2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid
Property Insights of 2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid
The XLogP value of 2.82002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-Methyl-3-{[(phenylcarbonyl)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 2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid?
The CAS number of 2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid is 532936-86-0.
What is the molecular formula of 2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid?
The molecular formula of 2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid is C16H14N2O3S.
What is the molecular weight of 2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid?
The molecular weight of 2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid is 314.07 g/mol.
Where can I buy 2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid?
You can request a quote for 2-Methyl-3-{[(phenylcarbonyl)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 2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.