6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one
TL;DR: 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one (CAS 893774-95-3) is a chemical compound with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one
Also Known As: A4123/0175819, 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one, 6-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-2H-1,4-benzoxazin-3(4H)-one, 6-(2H,3H-benzo[e]1,4-oxazin-4-ylsulfonyl)-7-methyl-2H,4H-benzo[e]1,4-oxazin-3- one, 6-(3,4-DIHYDRO-2H-1,4-BENZOXAZINE-4-SULFONYL)-7-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE
| Molecular Formula | C17H16N2O5S |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 1.91362 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.078 |
| Heavy Atoms | 25 |
| Complexity | 970.99866 |
Chemical Identifiers
| CAS Number | 893774-95-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1S(=O)(=O)N3CCOC4=CC=CC=C43)NC(=O)CO2 |
Product Overview
6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one (CAS 893774-95-3), with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol. IUPAC: 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one
Property Insights of 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one
The XLogP value of 1.91362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one. Following Lipinski's Rule of Five, 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one has 1 hydrogen bond donor(s) and 5 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 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one?
The CAS number of 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one is 893774-95-3.
What is the molecular formula of 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one?
The molecular formula of 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one is C17H16N2O5S.
What is the molecular weight of 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one?
The molecular weight of 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one is 360.08 g/mol.
Where can I buy 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one?
You can request a quote for 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.