2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl- (CAS 116337-65-6) is a chemical compound with molecular formula C17H14ClNO3 and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-chlorobenzoyl)-2,2-dimethyl-4H-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl-, 7-(4-Chlorobenzoyl)-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl-4H-1,4-benzoxazin-3-one, BRN 5967934, RefChem:267989
| Molecular Formula | C17H14ClNO3 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.6805 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.06622 |
| Heavy Atoms | 22 |
| Complexity | 765.9736 |
Chemical Identifiers
| CAS Number | 116337-65-6 |
|---|---|
| SMILES | CC1(C(=O)NC2=C(O1)C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)C |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl- (CAS 116337-65-6), with molecular formula C17H14ClNO3 and molecular weight 315.07 g/mol. IUPAC: 7-(4-chlorobenzoyl)-2,2-dimethyl-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl-
The XLogP value of 3.6805 indicates that 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl- 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-dimethyl- 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)-2,2-dimethyl-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl- is 116337-65-6.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl- is C17H14ClNO3.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl- is 315.07 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl- 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-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.