5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid
TL;DR: 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid (CAS 532980-99-7) 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.
5-(butanoylcarbamothioylamino)-2-chlorobenzoic acid
Also Known As: 5-(butanoylcarbamothioylamino)-2-chlorobenzoic acid, 5-(butanoylthiocarbamoylamino)-2-chloro-benzoic Acid, 2-CHLORO-5-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 2-Chloro-5-[[[(1-oxobutyl)amino]thioxomethyl ]amino]-benzoic acid, 2-chloro-5-[[[(1-oxobutyl)amino]thioxomethyl]amino]-benzoic 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 | 532980-99-7 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)O |
Product Overview
5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid (CAS 532980-99-7), with molecular formula C12H13ClN2O3S and molecular weight 300.03 g/mol. IUPAC: 5-(butanoylcarbamothioylamino)-2-chlorobenzoic acid.
Chemical Property Profile of 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid
Property Insights of 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid
The XLogP value of 2.6513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 5-(Butanoylcarbamothioylamino)-2-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 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid?
The CAS number of 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid is 532980-99-7.
What is the molecular formula of 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid?
The molecular formula of 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid is C12H13ClN2O3S.
What is the molecular weight of 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid?
The molecular weight of 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid is 300.03 g/mol.
Where can I buy 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid?
You can request a quote for 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Butanoylcarbamothioylamino)-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.