4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one
TL;DR: 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one (CAS 13213-86-0) is a chemical compound with molecular formula C14H10ClNO2 and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-phenyl-1,4-dihydro-3,1-benzoxazin-2-one
Also Known As: 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one, 6-chloro-4-phenyl-1,4-dihydro-3,1-benzoxazin-2-one, 1,4-Dihydro-6-chloro-4-phenyl-2H-3,1-benzoxazin-2-one, 6-Chloro-1,4-dihydro-4-phenyl-2H-3,1-benzoxazin-2-one, 6-Chloro-4-phenyl-4H-3,1-benzoxazin-2-ol
| Molecular Formula | C14H10ClNO2 |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.04 |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 13213-86-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)NC(=O)O2 |
| InChIKey | ZJXNRMOZDFCTMK-UHFFFAOYSA-N |
Product Overview
4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one (CAS 13213-86-0), with molecular formula C14H10ClNO2 and molecular weight 259.04 g/mol. IUPAC: 6-chloro-4-phenyl-1,4-dihydro-3,1-benzoxazin-2-one.
Chemical Property Profile of 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one
Property Insights of 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one
The XLogP value of 3.4 indicates that 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one has 1 hydrogen bond donor(s) and 2 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 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one?
The CAS number of 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one is 13213-86-0.
What is the molecular formula of 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one?
The molecular formula of 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one is C14H10ClNO2.
What is the molecular weight of 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one?
The molecular weight of 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one is 259.04 g/mol.
Where can I buy 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one?
You can request a quote for 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.