![4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid structure](/static/products/5324/532430-52-7.webp)
4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid
TL;DR: 4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid (CAS 532430-52-7) is a chemical compound with molecular formula C13H15ClN2O3S and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(pentanoylcarbamothioylamino)benzoic acid
Also Known As: 4-chloro-3-(3-pentanoylthioureido)benzoic acid, 4-chloro-3-[(pentanoylcarbamothioyl)amino]benzoic acid, 4-chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid, 4-chloro-3-(pentanoylcarbamothioylamino)benzoic acid
| Molecular Formula | C13H15ClN2O3S |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 3.0414 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.0492 |
| Heavy Atoms | 20 |
| Complexity | 534.3476 |
Chemical Identifiers
| CAS Number | 532430-52-7 |
|---|---|
| SMILES | CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)Cl |
Product Overview
4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid (CAS 532430-52-7), with molecular formula C13H15ClN2O3S and molecular weight 314.05 g/mol. IUPAC: 4-chloro-3-(pentanoylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid
Property Insights of 4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid
The XLogP value of 3.0414 indicates that 4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-{[(pentanoylamino)carbonothioyl]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 4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid?
The CAS number of 4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid is 532430-52-7.
What is the molecular formula of 4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid?
The molecular formula of 4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid is C13H15ClN2O3S.
What is the molecular weight of 4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid?
The molecular weight of 4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid is 314.05 g/mol.
Where can I buy 4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid?
You can request a quote for 4-Chloro-3-{[(pentanoylamino)carbonothioyl]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 4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.