2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one
TL;DR: 2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one (CAS 878426-53-0) is a chemical compound with molecular formula C16H8ClNO3 and molecular weight 297.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzofuran-2-yl)-7-chloro-3,1-benzoxazin-4-one
Also Known As: BAS 13072204, 2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one, 2-(1-benzofuran-2-yl)-7-chloro-3,1-benzoxazin-4-one, 2-Benzofuran-2-yl-7-chloro-benzo[d][1,3]oxazin-4-one
| Molecular Formula | C16H8ClNO3 |
|---|---|
| Molecular Weight | 297.02 g/mol |
| LogP | 4.2546 |
| Topological Polar Surface Area | 56.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.01926 |
| Heavy Atoms | 21 |
| Complexity | 999.4896 |
Chemical Identifiers
| CAS Number | 878426-53-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C3=NC4=C(C=CC(=C4)Cl)C(=O)O3 |
Product Overview
2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one (CAS 878426-53-0), with molecular formula C16H8ClNO3 and molecular weight 297.02 g/mol. IUPAC: 2-(1-benzofuran-2-yl)-7-chloro-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one
Property Insights of 2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one
The XLogP value of 4.2546 indicates that 2-(1-benzofuran-2-yl)-7-chloro-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 56.24 Ų, 2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-benzofuran-2-yl)-7-chloro-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 2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one?
The CAS number of 2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one is 878426-53-0.
What is the molecular formula of 2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one?
The molecular formula of 2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one is C16H8ClNO3.
What is the molecular weight of 2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one?
The molecular weight of 2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one is 297.02 g/mol.
Where can I buy 2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one?
You can request a quote for 2-(1-benzofuran-2-yl)-7-chloro-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-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-benzofuran-2-yl)-7-chloro-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.