5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
TL;DR: 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one (CAS 879478-72-5) is a chemical compound with molecular formula C16H13ClN2O5S and molecular weight 380.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
Also Known As: 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one, 5-chloro-6-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2(3H)-one, 6-((2H-benzo[b][1,4]oxazin-4(3H)-yl)sulfonyl)-5-chloro-3-methylbenzo[d]oxazol-2(3H)-one
| Molecular Formula | C16H13ClN2O5S |
|---|---|
| Molecular Weight | 380.02 g/mol |
| LogP | 2.3726 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.02338 |
| Heavy Atoms | 25 |
| Complexity | 1149.0317 |
Chemical Identifiers
| CAS Number | 879478-72-5 |
|---|---|
| SMILES | CN1C2=CC(=C(C=C2OC1=O)S(=O)(=O)N3CCOC4=CC=CC=C43)Cl |
Product Overview
5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one (CAS 879478-72-5), with molecular formula C16H13ClN2O5S and molecular weight 380.02 g/mol. IUPAC: 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
Property Insights of 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
The XLogP value of 2.3726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one. Following Lipinski's Rule of Five, 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one has 0 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 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one?
The CAS number of 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one is 879478-72-5.
What is the molecular formula of 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one?
The molecular formula of 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one is C16H13ClN2O5S.
What is the molecular weight of 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one?
The molecular weight of 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one is 380.02 g/mol.
Where can I buy 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one?
You can request a quote for 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.