7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride
TL;DR: 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride (CAS 874840-33-2) is a chemical compound with molecular formula C9H8ClNO4S and molecular weight 260.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonyl chloride
Also Known As: ZERO/004987, 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride, 7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonyl chloride, 7-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonyl chloride, 7-methyl-3-oxo-3,4-dihydro-2{H}-1,4-benzoxazine-6-sulfonyl chloride
| Molecular Formula | C9H8ClNO4S |
|---|---|
| Molecular Weight | 260.99 g/mol |
| LogP | 1.25342 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.98627 |
| Heavy Atoms | 16 |
| Complexity | 567.1169 |
Chemical Identifiers
| CAS Number | 874840-33-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1S(=O)(=O)Cl)NC(=O)CO2 |
Product Overview
7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride (CAS 874840-33-2), with molecular formula C9H8ClNO4S and molecular weight 260.99 g/mol. IUPAC: 7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonyl chloride.
Chemical Property Profile of 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride
Property Insights of 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride
The XLogP value of 1.25342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride. Following Lipinski's Rule of Five, 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride 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 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride?
The CAS number of 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride is 874840-33-2.
What is the molecular formula of 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride?
The molecular formula of 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride is C9H8ClNO4S.
What is the molecular weight of 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride?
The molecular weight of 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride is 260.99 g/mol.
Where can I buy 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride?
You can request a quote for 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.