4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione
TL;DR: 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione (CAS 4827-64-9) is a chemical compound with molecular formula C8H7NO3S and molecular weight 197.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide
Also Known As: 4-methyl-1,2, 4-methyl-1,2lambda6,3-benzoxathiazine-2,2-dione, 10-methyl-7-oxa-8$l^{6}-thia-9-azabicyclo[4.4.0]deca-1,3,5,9-tetraene 8,8-dioxide
| Molecular Formula | C8H7NO3S |
|---|---|
| Molecular Weight | 197.01 g/mol |
| LogP | 1.1328 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.01466 |
| Heavy Atoms | 13 |
| Complexity | 475.91745 |
Chemical Identifiers
| CAS Number | 4827-64-9 |
|---|---|
| SMILES | CC1=NS(=O)(=O)OC2=CC=CC=C12 |
Product Overview
4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione (CAS 4827-64-9), with molecular formula C8H7NO3S and molecular weight 197.01 g/mol. IUPAC: 4-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide.
Chemical Property Profile of 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione
Property Insights of 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione
The XLogP value of 1.1328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione. With a topological polar surface area (TPSA) of 55.73 Ų, 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione has 0 hydrogen bond donor(s) and 3 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-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione?
The CAS number of 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione is 4827-64-9.
What is the molecular formula of 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione?
The molecular formula of 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione is C8H7NO3S.
What is the molecular weight of 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione?
The molecular weight of 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione is 197.01 g/mol.
Where can I buy 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione?
You can request a quote for 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.