(5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate
TL;DR: (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate (CAS 77408-70-9) is a chemical compound with molecular formula C15H13N3O7S2 and molecular weight 411.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate
Also Known As: (5-sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate, (5-sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonat, 5-Sulfamoyl-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate, RefChem:209532
| Molecular Formula | C15H13N3O7S2 |
|---|---|
| Molecular Weight | 411.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.0195 |
| Heavy Atoms | 27 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 77408-70-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=NOC3=C2C=C(C=C3)S(=O)(=O)N |
| InChIKey | CEWJCFUQXMMGMS-UHFFFAOYSA-N |
Product Overview
(5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate (CAS 77408-70-9), with molecular formula C15H13N3O7S2 and molecular weight 411.02 g/mol. IUPAC: (5-sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate.
Chemical Property Profile of (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate
Property Insights of (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate. The TPSA of 175.0 Ų indicates high polarity, suggesting (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate has 2 hydrogen bond donor(s) and 9 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 (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate?
The CAS number of (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate is 77408-70-9.
What is the molecular formula of (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate?
The molecular formula of (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate is C15H13N3O7S2.
What is the molecular weight of (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate?
The molecular weight of (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate is 411.02 g/mol.
Where can I buy (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate?
You can request a quote for (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.