2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane
TL;DR: 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane (CAS 497181-18-7) is a chemical compound with molecular formula C16H13FO3 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)-[3-(4-methoxyphenyl)oxiran-2-yl]methanone
Also Known As: 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane, 4-Methoxy-4'-fluorochalcone epoxide, (4-fluorophenyl)-[3-(4-methoxyphenyl)oxiran-2-yl]methanone, 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane 98%
| Molecular Formula | C16H13FO3 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.08487 |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 497181-18-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=C(C=C3)F |
| InChIKey | UNNQMMDGVRPAJD-UHFFFAOYSA-N |
Product Overview
2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane (CAS 497181-18-7), with molecular formula C16H13FO3 and molecular weight 272.08 g/mol. IUPAC: (4-fluorophenyl)-[3-(4-methoxyphenyl)oxiran-2-yl]methanone.
Chemical Property Profile of 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane
Property Insights of 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane. With a topological polar surface area (TPSA) of 38.8 Ų, 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane 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 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane?
The CAS number of 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane is 497181-18-7.
What is the molecular formula of 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane?
The molecular formula of 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane is C16H13FO3.
What is the molecular weight of 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane?
The molecular weight of 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane is 272.08 g/mol.
Where can I buy 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane?
You can request a quote for 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.