N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide
TL;DR: N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide (CAS 24962-46-7) is a chemical compound with molecular formula C11H14N2O3S2 and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-sulfanylidene-3H-1,3-benzoxazole-5-sulfonamide
Also Known As: N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide, 2-Mercapto-benzooxazole-5-sulfonic acid diethylamide, N,N-diethyl-2-sulfanylidene-3H-1,3-benzoxazole-5-sulfonamide, N,N-diethyl-2-thioxo-3H-1,3-benzoxazole-5-sulfonamide
| Molecular Formula | C11H14N2O3S2 |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 2.52089 |
| Topological Polar Surface Area | 66.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.0446 |
| Heavy Atoms | 18 |
| Complexity | 711.2087 |
Chemical Identifiers
| CAS Number | 24962-46-7 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2 |
Product Overview
N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide (CAS 24962-46-7), with molecular formula C11H14N2O3S2 and molecular weight 286.04 g/mol. IUPAC: N,N-diethyl-2-sulfanylidene-3H-1,3-benzoxazole-5-sulfonamide.
Chemical Property Profile of N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide
Property Insights of N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide
The XLogP value of 2.52089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide. The TPSA of 66.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide. Following Lipinski's Rule of Five, N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide 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 N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide?
The CAS number of N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide is 24962-46-7.
What is the molecular formula of N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide?
The molecular formula of N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide is C11H14N2O3S2.
What is the molecular weight of N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide?
The molecular weight of N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide is 286.04 g/mol.
Where can I buy N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide?
You can request a quote for N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-2-sulfanyl-1,3-benzoxazole-5-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.