5-Mesyl-6-nitrobenzoxazol-2(3H)-one
TL;DR: 5-Mesyl-6-nitrobenzoxazol-2(3H)-one (CAS 31770-95-3) is a chemical compound with molecular formula C8H6N2O6S and molecular weight 257.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfonyl-6-nitro-3H-1,3-benzoxazol-2-one
Also Known As: 5-Mesyl-6-nitrobenzoxazol-2(3H)-one, 5-Methanesulfonyl-6-nitro-3H-benzooxazol-2-one, EINECS 250-795-5, 5-Methylsulfon-6-nitrobenzoxazolon, 5-methylsulfonyl-6-nitro-3H-1,3-benzoxazol-2-one
| Molecular Formula | C8H6N2O6S |
|---|---|
| Molecular Weight | 257.99 g/mol |
| LogP | 0.4328 |
| Topological Polar Surface Area | 123.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.99466 |
| Heavy Atoms | 17 |
| Complexity | 768.8996 |
Chemical Identifiers
| CAS Number | 31770-95-3 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=C2C(=C1)NC(=O)O2)[N+](=O)[O-] |
Product Overview
5-Mesyl-6-nitrobenzoxazol-2(3H)-one (CAS 31770-95-3), with molecular formula C8H6N2O6S and molecular weight 257.99 g/mol. IUPAC: 5-methylsulfonyl-6-nitro-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 5-Mesyl-6-nitrobenzoxazol-2(3H)-one
Property Insights of 5-Mesyl-6-nitrobenzoxazol-2(3H)-one
The XLogP value of 0.4328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Mesyl-6-nitrobenzoxazol-2(3H)-one. The TPSA of 123.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Mesyl-6-nitrobenzoxazol-2(3H)-one. Following Lipinski's Rule of Five, 5-Mesyl-6-nitrobenzoxazol-2(3H)-one has 1 hydrogen bond donor(s) and 6 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-Mesyl-6-nitrobenzoxazol-2(3H)-one?
The CAS number of 5-Mesyl-6-nitrobenzoxazol-2(3H)-one is 31770-95-3.
What is the molecular formula of 5-Mesyl-6-nitrobenzoxazol-2(3H)-one?
The molecular formula of 5-Mesyl-6-nitrobenzoxazol-2(3H)-one is C8H6N2O6S.
What is the molecular weight of 5-Mesyl-6-nitrobenzoxazol-2(3H)-one?
The molecular weight of 5-Mesyl-6-nitrobenzoxazol-2(3H)-one is 257.99 g/mol.
Where can I buy 5-Mesyl-6-nitrobenzoxazol-2(3H)-one?
You can request a quote for 5-Mesyl-6-nitrobenzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Mesyl-6-nitrobenzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Mesyl-6-nitrobenzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.