![3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid structure](/static/products/5315/531544-38-4.webp)
3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid
TL;DR: 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid (CAS 531544-38-4) is a chemical compound with molecular formula C17H9Br2ClN2O3S2 and molecular weight 545.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid
Also Known As: 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid, 3,5-dibromo-2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic Acid, 3,5-Dibromo-2-[[[[(3-chlorobenzo[b]thien-2-yl)carbonyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C17H9Br2ClN2O3S2 |
|---|---|
| Molecular Weight | 545.81 g/mol |
| LogP | 5.9047 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 545.811 |
| Heavy Atoms | 27 |
| Complexity | 1101.2172 |
Chemical Identifiers
| CAS Number | 531544-38-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=C(C=C3Br)Br)C(=O)O)Cl |
Product Overview
3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid (CAS 531544-38-4), with molecular formula C17H9Br2ClN2O3S2 and molecular weight 545.81 g/mol. IUPAC: 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid
Property Insights of 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid
The XLogP value of 5.9047 indicates that 3,5-dibromo-2-[(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 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid?
The CAS number of 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid is 531544-38-4.
What is the molecular formula of 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid?
The molecular formula of 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid is C17H9Br2ClN2O3S2.
What is the molecular weight of 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid?
The molecular weight of 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid is 545.81 g/mol.
Where can I buy 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid?
You can request a quote for 3,5-dibromo-2-[(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 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.