5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one
TL;DR: 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one (CAS 638136-11-5) is a chemical compound with molecular formula C9H9NO4S and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-methylsulfonyl-1,3-benzoxazol-2-one
Also Known As: IFLab1_006229, 5-methyl-3-methylsulfonyl-1,3-benzoxazol-2-one, 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one, methyl-5-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl(oxo)-lambda-sulfaniumolate
| Molecular Formula | C9H9NO4S |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 0.71062 |
| Topological Polar Surface Area | 69.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.02522 |
| Heavy Atoms | 15 |
| Complexity | 677.69055 |
Chemical Identifiers
| CAS Number | 638136-11-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=O)N2S(=O)(=O)C |
Product Overview
5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one (CAS 638136-11-5), with molecular formula C9H9NO4S and molecular weight 227.03 g/mol. IUPAC: 5-methyl-3-methylsulfonyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one
Property Insights of 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one
The XLogP value of 0.71062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one. The TPSA of 69.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one. Following Lipinski's Rule of Five, 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one has 0 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 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one?
The CAS number of 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one is 638136-11-5.
What is the molecular formula of 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one?
The molecular formula of 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one is C9H9NO4S.
What is the molecular weight of 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one?
The molecular weight of 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one is 227.03 g/mol.
Where can I buy 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one?
You can request a quote for 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-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-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-3-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.