![3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid structure](/static/products/5329/532947-96-9.webp)
3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid
TL;DR: 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid (CAS 532947-96-9) 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.
3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid
Also Known As: 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid, 3-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic Acid, 3-[[[[(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 | 1000.47656 |
Chemical Identifiers
| CAS Number | 532947-96-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O)Cl |
Product Overview
3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid (CAS 532947-96-9), with molecular formula C17H11ClN2O3S2 and molecular weight 389.99 g/mol. IUPAC: 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid
Property Insights of 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid
The XLogP value of 4.3797 indicates that 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]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 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]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 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid?
The CAS number of 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid is 532947-96-9.
What is the molecular formula of 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid?
The molecular formula of 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid is C17H11ClN2O3S2.
What is the molecular weight of 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid?
The molecular weight of 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid is 389.99 g/mol.
Where can I buy 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid?
You can request a quote for 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.