3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one
TL;DR: 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one (CAS 63114-82-9) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one
Also Known As: 3,5-dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 63114-82-9 |
|---|---|
| SMILES | CC1C(OC(C(C1=O)C)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | ILPQVDLURPGCEC-UHFFFAOYSA-N |
Product Overview
3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one (CAS 63114-82-9), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: 3,5-dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one.
Chemical Property Profile of 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one
Property Insights of 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one
The XLogP value of 3.6 indicates that 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one. Following Lipinski's Rule of Five, 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one has 0 hydrogen bond donor(s) and 4 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 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one?
The CAS number of 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one is 63114-82-9.
What is the molecular formula of 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one?
The molecular formula of 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one is C19H19NO4.
What is the molecular weight of 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one?
The molecular weight of 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one is 325.13 g/mol.
Where can I buy 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one?
You can request a quote for 3,5-Dimethyl-2-(4-nitrophenyl)-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 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.