![4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid structure](/static/products/7142/714261-17-3.webp)
4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid
TL;DR: 4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid (CAS 714261-17-3) is a chemical compound with molecular formula C20H14N2O5S3 and molecular weight 458.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid
Also Known As: CBKinase1_009842, CBKinase1_022242, AQ-390/42869319, BRD-K05110171-001-01-8, 4-({[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]amino}sulfonyl)benzoic acid
| Molecular Formula | C20H14N2O5S3 |
|---|---|
| Molecular Weight | 458.01 g/mol |
| LogP | 4.6521 |
| Topological Polar Surface Area | 116.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.0065 |
| Heavy Atoms | 30 |
| Complexity | 1315.642 |
Chemical Identifiers
| CAS Number | 714261-17-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O)O |
Product Overview
4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid (CAS 714261-17-3), with molecular formula C20H14N2O5S3 and molecular weight 458.01 g/mol. IUPAC: 4-[[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid.
Chemical Property Profile of 4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid
Property Insights of 4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid
The XLogP value of 4.6521 indicates that 4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid. Following Lipinski's Rule of Five, 4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid has 3 hydrogen bond donor(s) and 7 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-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid?
The CAS number of 4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid is 714261-17-3.
What is the molecular formula of 4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid?
The molecular formula of 4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid is C20H14N2O5S3.
What is the molecular weight of 4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid?
The molecular weight of 4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid is 458.01 g/mol.
Where can I buy 4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid?
You can request a quote for 4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]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-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[3-(1,3-Benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.