3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide
TL;DR: 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide (CAS 825600-85-9) is a chemical compound with molecular formula C9H10N2O4S and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
Also Known As: BAS 09106296, N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide, 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide, N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
| Molecular Formula | C9H10N2O4S |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 0.0396 |
| Topological Polar Surface Area | 81.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.03613 |
| Heavy Atoms | 16 |
| Complexity | 695.85754 |
Chemical Identifiers
| CAS Number | 825600-85-9 |
|---|---|
| SMILES | CNS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)O2)C |
Product Overview
3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide (CAS 825600-85-9), with molecular formula C9H10N2O4S and molecular weight 242.04 g/mol. IUPAC: N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
Chemical Property Profile of 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide
Property Insights of 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide
The XLogP value of 0.0396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide. The TPSA of 81.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide. Following Lipinski's Rule of Five, 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide has 1 hydrogen bond donor(s) and 4 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-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide?
The CAS number of 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide is 825600-85-9.
What is the molecular formula of 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide?
The molecular formula of 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide is C9H10N2O4S.
What is the molecular weight of 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide?
The molecular weight of 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide is 242.04 g/mol.
Where can I buy 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide?
You can request a quote for 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid methylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.