![2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid structure](/static/products/4339/433945-39-2.webp)
2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid
TL;DR: 2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid (CAS 433945-39-2) is a chemical compound with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(propanoylcarbamothioylamino)benzoic acid
Also Known As: 2-methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid, 2-methyl-3-(propanoylcarbamothioylamino)benzoic acid, 2-Methyl-3-(3-propionyl-thioureido)-benzoic acid, AN-465/41524766, 2-methyl-3-{[(propionylamino)carbothioyl]amino}benzoic acid
| Molecular Formula | C12H14N2O3S |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 1.91622 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0725 |
| Heavy Atoms | 18 |
| Complexity | 500.09595 |
Chemical Identifiers
| CAS Number | 433945-39-2 |
|---|---|
| SMILES | CCC(=O)NC(=S)NC1=CC=CC(=C1C)C(=O)O |
Product Overview
2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid (CAS 433945-39-2), with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol. IUPAC: 2-methyl-3-(propanoylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid
Property Insights of 2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid
The XLogP value of 1.91622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-Methyl-3-[(propanoylcarbamothioyl)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-[(propanoylcarbamothioyl)amino]benzoic acid?
The CAS number of 2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid is 433945-39-2.
What is the molecular formula of 2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid?
The molecular formula of 2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid is C12H14N2O3S.
What is the molecular weight of 2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid?
The molecular weight of 2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid is 266.07 g/mol.
Where can I buy 2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid?
You can request a quote for 2-Methyl-3-[(propanoylcarbamothioyl)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-[(propanoylcarbamothioyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-[(propanoylcarbamothioyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.