2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)- (CAS 116337-63-4) is a chemical compound with molecular formula C15H10ClNO3 and molecular weight 287.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-chlorobenzoyl)-4H-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-, 7-(4-Chlorobenzoyl)-2H-1,4-benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-4H-1,4-benzoxazin-3-one, BRN 5964554, RefChem:267987
| Molecular Formula | C15H10ClNO3 |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 2.9019 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.0349 |
| Heavy Atoms | 20 |
| Complexity | 694.76483 |
Chemical Identifiers
| CAS Number | 116337-63-4 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)- (CAS 116337-63-4), with molecular formula C15H10ClNO3 and molecular weight 287.03 g/mol. IUPAC: 7-(4-chlorobenzoyl)-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-
The XLogP value of 2.9019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-. With a topological polar surface area (TPSA) of 55.4 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)- 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 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)- is 116337-63-4.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)- is C15H10ClNO3.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)- is 287.03 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.