2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl- (CAS 116337-68-9) is a chemical compound with molecular formula C18H16ClNO3 and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl-, 7-(4-Chlorobenzoyl)-2,2,4-trimethyl-2H-1,4-benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one, BRN 5976267, RefChem:267988
| Molecular Formula | C18H16ClNO3 |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.7048 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.08188 |
| Heavy Atoms | 23 |
| Complexity | 796.41406 |
Chemical Identifiers
| CAS Number | 116337-68-9 |
|---|---|
| SMILES | CC1(C(=O)N(C2=C(O1)C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)C)C |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl- (CAS 116337-68-9), with molecular formula C18H16ClNO3 and molecular weight 329.08 g/mol. IUPAC: 7-(4-chlorobenzoyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl-
The XLogP value of 3.7048 indicates that 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl- 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)-2,2,4-trimethyl- 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 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl- is 116337-68-9.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl- is C18H16ClNO3.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl- is 329.08 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl- 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)-2,2,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.