![4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid structure](/static/products/5359/535977-36-7.webp)
4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid
TL;DR: 4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 535977-36-7) is a chemical compound with molecular formula C17H11ClN2O3S2 and molecular weight 389.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid
Also Known As: 4-({[(3-chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid, 4-[[[[(3-CHLOROBENZO[B]THIEN-2-YL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID, 4-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid, 4-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic Acid, 4-[[[[(3-Chlorobenzo[b]thien-2-yl)carbonyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C17H11ClN2O3S2 |
|---|---|
| Molecular Weight | 389.99 g/mol |
| LogP | 4.3797 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.98996 |
| Heavy Atoms | 25 |
| Complexity | 983.22656 |
Chemical Identifiers
| CAS Number | 535977-36-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O)Cl |
Product Overview
4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid (CAS 535977-36-7), with molecular formula C17H11ClN2O3S2 and molecular weight 389.99 g/mol. IUPAC: 4-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid
Property Insights of 4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid
The XLogP value of 4.3797 indicates that 4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}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-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid has 3 hydrogen bond donor(s) and 4 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-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid?
The CAS number of 4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid is 535977-36-7.
What is the molecular formula of 4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid is C17H11ClN2O3S2.
What is the molecular weight of 4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid is 389.99 g/mol.
Where can I buy 4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}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-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(3-Chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.