4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate
TL;DR: 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate (CAS 877136-88-4) is a chemical compound with molecular formula C15H13N3O5S and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl) 2-oxo-1,3-dihydrobenzimidazole-5-sulfonate
Also Known As: (4-acetamidophenyl) 2-oxo-1,3-dihydrobenzimidazole-5-sulfonate, 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate
| Molecular Formula | C15H13N3O5S |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 1.5823 |
| Topological Polar Surface Area | 121.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0576 |
| Heavy Atoms | 24 |
| Complexity | 1064.4326 |
Chemical Identifiers
| CAS Number | 877136-88-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3 |
Product Overview
4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate (CAS 877136-88-4), with molecular formula C15H13N3O5S and molecular weight 347.06 g/mol. IUPAC: (4-acetamidophenyl) 2-oxo-1,3-dihydrobenzimidazole-5-sulfonate.
Chemical Property Profile of 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate
Property Insights of 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate
The XLogP value of 1.5823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate. The TPSA of 121.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate. Following Lipinski's Rule of Five, 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate has 3 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 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate?
The CAS number of 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate is 877136-88-4.
What is the molecular formula of 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate?
The molecular formula of 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate is C15H13N3O5S.
What is the molecular weight of 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate?
The molecular weight of 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate is 347.06 g/mol.
Where can I buy 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate?
You can request a quote for 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-acetamidophenyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.