![5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid structure](/static/products/7496/7496-39-1.webp)
5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid
TL;DR: 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid (CAS 7496-39-1) is a chemical compound with molecular formula C14H12N4O3S and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzoylcarbamothioylamino)-2-methylpyrimidine-4-carboxylic acid
Also Known As: 5-(3-Benzoylthioureido)-2-methylpyrimidine-4-carboxylic acid, 5-(benzoylcarbamothioylamino)-2-methylpyrimidine-4-carboxylic acid, 5-(benzoylcarbamothioylamino)-2-methylpyrimidine-4-carboxyli, 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid, 4-Pyrimidinecarboxylicacid, 5-[[(benzoylamino)thioxomethyl]amino]-2-methyl-
| Molecular Formula | C14H12N4O3S |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 1.61002 |
| Topological Polar Surface Area | 104.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.06302 |
| Heavy Atoms | 22 |
| Complexity | 734.12274 |
Chemical Identifiers
| CAS Number | 7496-39-1 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)C(=O)O)NC(=S)NC(=O)C2=CC=CC=C2 |
Product Overview
5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid (CAS 7496-39-1), with molecular formula C14H12N4O3S and molecular weight 316.06 g/mol. IUPAC: 5-(benzoylcarbamothioylamino)-2-methylpyrimidine-4-carboxylic acid.
Chemical Property Profile of 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid
Property Insights of 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid
The XLogP value of 1.61002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid. The TPSA of 104.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid has 3 hydrogen bond donor(s) and 5 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 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid?
The CAS number of 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid is 7496-39-1.
What is the molecular formula of 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid?
The molecular formula of 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid is C14H12N4O3S.
What is the molecular weight of 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid?
The molecular weight of 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid is 316.06 g/mol.
Where can I buy 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid?
You can request a quote for 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Benzoylcarbamothioyl)amino]-2-methylpyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.