6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
TL;DR: 6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS 26518-76-3) is a chemical compound with molecular formula C10H8ClNO3 and molecular weight 225.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chloroacetyl)-4H-1,4-benzoxazin-3-one
Also Known As: 6-(2-chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one, 6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one, Chlorodimethylsilane, chloroacetylbenzoxazinone, 6-(2-chloroacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
| Molecular Formula | C10H8ClNO3 |
|---|---|
| Molecular Weight | 225.02 g/mol |
| LogP | 1.439 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.01927 |
| Heavy Atoms | 15 |
| Complexity | 430.67572 |
Chemical Identifiers
| CAS Number | 26518-76-3 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CCl |
Product Overview
6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS 26518-76-3), with molecular formula C10H8ClNO3 and molecular weight 225.02 g/mol. IUPAC: 6-(2-chloroacetyl)-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
Property Insights of 6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
The XLogP value of 1.439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one. With a topological polar surface area (TPSA) of 55.4 Ų, 6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-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)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The CAS number of 6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one is 26518-76-3.
What is the molecular formula of 6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The molecular formula of 6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one is C10H8ClNO3.
What is the molecular weight of 6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The molecular weight of 6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one is 225.02 g/mol.
Where can I buy 6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
You can request a quote for 6-(2-chloroacetyl)-3,4-dihydro-2H-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-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.