2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,4-dimethyl-, (+-)-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,4-dimethyl-, (+-)- (CAS 123172-52-1) 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)-2,4-dimethyl-1,4-benzoxazin-3-one
Also Known As: (+-)-7-(4-Chlorobenzoyl)-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,4-dimethyl-, (+-)-, 7-(4-chlorobenzoyl)-2,4-dimethyl-1,4-benzoxazin-3-one, 7-(4-Chlorobenzoyl)-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one, RefChem:1065135
| Molecular Formula | C17H14ClNO3 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.3147 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.06622 |
| Heavy Atoms | 22 |
| Complexity | 754.9994 |
Chemical Identifiers
| CAS Number | 123172-52-1 |
|---|---|
| SMILES | CC1C(=O)N(C2=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)-2,4-dimethyl-, (+-)- (CAS 123172-52-1), with molecular formula C17H14ClNO3 and molecular weight 315.07 g/mol. IUPAC: 7-(4-chlorobenzoyl)-2,4-dimethyl-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,4-dimethyl-, (+-)-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,4-dimethyl-, (+-)-
The XLogP value of 3.3147 indicates that 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,4-dimethyl-, (+-)- 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)-2,4-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)-2,4-dimethyl-, (+-)- 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)-2,4-dimethyl-, (+-)-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,4-dimethyl-, (+-)- is 123172-52-1.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,4-dimethyl-, (+-)-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,4-dimethyl-, (+-)- is C17H14ClNO3.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,4-dimethyl-, (+-)-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,4-dimethyl-, (+-)- is 315.07 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,4-dimethyl-, (+-)-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,4-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)-2,4-dimethyl-, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,4-dimethyl-, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.