2-(chloromethyl)-4H-3,1-benzoxazin-4-one
TL;DR: 2-(chloromethyl)-4H-3,1-benzoxazin-4-one (CAS 98592-35-9) is a chemical compound with molecular formula C9H6ClNO2 and molecular weight 195.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-3,1-benzoxazin-4-one
Also Known As: 2-(chloromethyl)-4H-3,1-benzoxazin-4-one, 2-(chloromethyl)-3,1-benzoxazin-4-one, 2-(chloromethyl)-4H-benzo[d][1,3]oxazin-4-one, 2-Chloromethyl-4H-3,1-benzoxazin-4-ones, 2-(Chloromethyl)-4H-3,1-benzooxazine-4-one
| Molecular Formula | C9H6ClNO2 |
|---|---|
| Molecular Weight | 195.01 g/mol |
| LogP | 1.9268 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.00871 |
| Heavy Atoms | 13 |
| Complexity | 492.18384 |
Chemical Identifiers
| CAS Number | 98592-35-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=N2)CCl |
Product Overview
2-(chloromethyl)-4H-3,1-benzoxazin-4-one (CAS 98592-35-9), with molecular formula C9H6ClNO2 and molecular weight 195.01 g/mol. IUPAC: 2-(chloromethyl)-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-(chloromethyl)-4H-3,1-benzoxazin-4-one
Property Insights of 2-(chloromethyl)-4H-3,1-benzoxazin-4-one
The XLogP value of 1.9268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(chloromethyl)-4H-3,1-benzoxazin-4-one. With a topological polar surface area (TPSA) of 43.1 Ų, 2-(chloromethyl)-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(chloromethyl)-4H-3,1-benzoxazin-4-one has 0 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 2-(chloromethyl)-4H-3,1-benzoxazin-4-one?
The CAS number of 2-(chloromethyl)-4H-3,1-benzoxazin-4-one is 98592-35-9.
What is the molecular formula of 2-(chloromethyl)-4H-3,1-benzoxazin-4-one?
The molecular formula of 2-(chloromethyl)-4H-3,1-benzoxazin-4-one is C9H6ClNO2.
What is the molecular weight of 2-(chloromethyl)-4H-3,1-benzoxazin-4-one?
The molecular weight of 2-(chloromethyl)-4H-3,1-benzoxazin-4-one is 195.01 g/mol.
Where can I buy 2-(chloromethyl)-4H-3,1-benzoxazin-4-one?
You can request a quote for 2-(chloromethyl)-4H-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(chloromethyl)-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(chloromethyl)-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.