2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one
TL;DR: 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one (CAS 63114-81-8) is a chemical compound with molecular formula C19H19ClO2 and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one
Also Known As: 2-(4-chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one
| Molecular Formula | C19H19ClO2 |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.10736 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 63114-81-8 |
|---|---|
| SMILES | CC1C(OC(C(C1=O)C)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
| InChIKey | BEVCAYSGCZTMKZ-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one (CAS 63114-81-8), with molecular formula C19H19ClO2 and molecular weight 314.11 g/mol. IUPAC: 2-(4-chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one.
Chemical Property Profile of 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one
Property Insights of 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one
The XLogP value of 4.4 indicates that 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one has 0 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 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one?
The CAS number of 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one is 63114-81-8.
What is the molecular formula of 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one?
The molecular formula of 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one is C19H19ClO2.
What is the molecular weight of 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one?
The molecular weight of 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one is 314.11 g/mol.
Where can I buy 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one?
You can request a quote for 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-3,5-dimethyl-6-phenyloxan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.