![5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid structure](/static/products/6932/693255-70-8.webp)
5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid
TL;DR: 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid (CAS 693255-70-8) is a chemical compound with molecular formula C22H17BrN2O4S and molecular weight 484.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[[4-[(2-phenylsulfanylacetyl)amino]benzoyl]amino]benzoic acid
Also Known As: CBKinase1_003483, CBKinase1_015883, BRD-K77182661-001-01-7, 5-bromo-2-(4-(2-(phenylthio)acetamido)benzamido)benzoic acid, 5-bromo-2-[[4-[(2-phenylsulfanylacetyl)amino]benzoyl]amino]benzoic Acid
| Molecular Formula | C22H17BrN2O4S |
|---|---|
| Molecular Weight | 484.01 g/mol |
| LogP | 5.1304 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.00925 |
| Heavy Atoms | 30 |
| Complexity | 1072.2555 |
Chemical Identifiers
| CAS Number | 693255-70-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O |
Product Overview
5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid (CAS 693255-70-8), with molecular formula C22H17BrN2O4S and molecular weight 484.01 g/mol. IUPAC: 5-bromo-2-[[4-[(2-phenylsulfanylacetyl)amino]benzoyl]amino]benzoic acid.
Chemical Property Profile of 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid
Property Insights of 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid
The XLogP value of 5.1304 indicates that 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}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 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid?
The CAS number of 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid is 693255-70-8.
What is the molecular formula of 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid?
The molecular formula of 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid is C22H17BrN2O4S.
What is the molecular weight of 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid?
The molecular weight of 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid is 484.01 g/mol.
Where can I buy 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid?
You can request a quote for 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]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 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-{[(4-{[(phenylsulfanyl)acetyl]amino}phenyl)carbonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.