7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one
TL;DR: 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one (CAS 890959-13-4) is a chemical compound with molecular formula C16H11Cl2NO3 and molecular weight 335.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-(5-chloro-2-ethoxyphenyl)-3,1-benzoxazin-4-one
Also Known As: 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one
| Molecular Formula | C16H11Cl2NO3 |
|---|---|
| Molecular Weight | 335.01 g/mol |
| LogP | 4.5605 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.0116 |
| Heavy Atoms | 22 |
| Complexity | 905.5218 |
Chemical Identifiers
| CAS Number | 890959-13-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)Cl)C2=NC3=C(C=CC(=C3)Cl)C(=O)O2 |
Product Overview
7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one (CAS 890959-13-4), with molecular formula C16H11Cl2NO3 and molecular weight 335.01 g/mol. IUPAC: 7-chloro-2-(5-chloro-2-ethoxyphenyl)-3,1-benzoxazin-4-one.
Chemical Property Profile of 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one
Property Insights of 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one
The XLogP value of 4.5605 indicates that 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 4 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 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one?
The CAS number of 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one is 890959-13-4.
What is the molecular formula of 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one?
The molecular formula of 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one is C16H11Cl2NO3.
What is the molecular weight of 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one?
The molecular weight of 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one is 335.01 g/mol.
Where can I buy 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one?
You can request a quote for 7-chloro-2-(5-chloro-2-ethoxyphenyl)-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 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-2-(5-chloro-2-ethoxyphenyl)-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.