3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one
TL;DR: 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one (CAS 77408-57-2) is a chemical compound with molecular formula C13H9ClN2O4S and molecular weight 324.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one
Also Known As: 3-(4-aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one, 3-(4-Aminobenzene-1-sulfonyl)-6-chloro-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C13H9ClN2O4S |
|---|---|
| Molecular Weight | 324.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.99716 |
| Heavy Atoms | 21 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 77408-57-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)OC2=O |
| InChIKey | QZSXTIVBEPESMV-UHFFFAOYSA-N |
Product Overview
3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one (CAS 77408-57-2), with molecular formula C13H9ClN2O4S and molecular weight 324.00 g/mol. IUPAC: 3-(4-aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one
Property Insights of 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one. Following Lipinski's Rule of Five, 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one has 1 hydrogen bond donor(s) and 5 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-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one?
The CAS number of 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one is 77408-57-2.
What is the molecular formula of 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one?
The molecular formula of 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one is C13H9ClN2O4S.
What is the molecular weight of 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one?
The molecular weight of 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one is 324.00 g/mol.
Where can I buy 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one?
You can request a quote for 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Aminophenyl)sulfonyl-6-chloro-1,3-benzoxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.