![3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid structure](/static/products/5301/530130-81-5.webp)
3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid
TL;DR: 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid (CAS 530130-81-5) is a chemical compound with molecular formula C12H13ClN2O3S and molecular weight 300.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(butanoylcarbamothioylamino)-4-chlorobenzoic acid
Also Known As: 3-[(butanoylcarbamothioyl)amino]-4-chlorobenzoic acid, 3-(butanoylcarbamothioylamino)-4-chlorobenzoic acid, AN-465/41522581, 3-(butanoylthiocarbamoylamino)-4-chloro-benzoic Acid, 3-{[(butyrylamino)carbonothioyl]amino}-4-chlorobenzoic acid
| Molecular Formula | C12H13ClN2O3S |
|---|---|
| Molecular Weight | 300.03 g/mol |
| LogP | 2.6513 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.03354 |
| Heavy Atoms | 19 |
| Complexity | 519.696 |
Chemical Identifiers
| CAS Number | 530130-81-5 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)Cl |
Product Overview
3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid (CAS 530130-81-5), with molecular formula C12H13ClN2O3S and molecular weight 300.03 g/mol. IUPAC: 3-(butanoylcarbamothioylamino)-4-chlorobenzoic acid.
Chemical Property Profile of 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid
Property Insights of 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid
The XLogP value of 2.6513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid. Following Lipinski's Rule of Five, 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic 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 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid?
The CAS number of 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid is 530130-81-5.
What is the molecular formula of 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid?
The molecular formula of 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid is C12H13ClN2O3S.
What is the molecular weight of 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid?
The molecular weight of 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid is 300.03 g/mol.
Where can I buy 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid?
You can request a quote for 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Butanoylcarbamothioyl)amino]-4-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.