![6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one structure](/static/products/128/128101-38-2.png)
6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
TL;DR: 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS 128101-38-2) is a chemical compound with molecular formula C11H10ClNO3 and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chloroacetyl)-2-methyl-4H-1,4-benzoxazin-3-one
Also Known As: 6-(2-Chloro-acetyl)-2-methyl-4H-benzo[1,4]oxazin-3-one, 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one, ASN 01042609, 4-Fluoro-3-pyrazol-1-yl-benzoic acid, 6-(2-chloroacetyl)-2-methyl-4H-1,4-benzoxazin-3-one
| Molecular Formula | C11H10ClNO3 |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 1.8275 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.03493 |
| Heavy Atoms | 16 |
| Complexity | 458.54294 |
Chemical Identifiers
| CAS Number | 128101-38-2 |
|---|---|
| SMILES | CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CCl |
Product Overview
6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS 128101-38-2), with molecular formula C11H10ClNO3 and molecular weight 239.03 g/mol. IUPAC: 6-(2-chloroacetyl)-2-methyl-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
Property Insights of 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
The XLogP value of 1.8275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one. With a topological polar surface area (TPSA) of 55.4 Ų, 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one has 1 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 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one?
The CAS number of 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one is 128101-38-2.
What is the molecular formula of 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one?
The molecular formula of 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one is C11H10ClNO3.
What is the molecular weight of 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one?
The molecular weight of 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one is 239.03 g/mol.
Where can I buy 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one?
You can request a quote for 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-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-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-Chloroacetyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.