rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone
TL;DR: rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone (CAS 82864-16-2) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
Also Known As: 4-Methoxychalcone oxide, trans-4-Methoxychalcone oxide, trans-2,3-Epoxy-3-(p-methoxyphenyl)propiophenone, 2beta-Benzoyl-3alpha-(4-methoxyphenyl)oxirane, [3-(4-Methoxy-phenyl)-oxiranyl]-phenyl-methanone
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 82864-16-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[C@H]2[C@@H](O2)C(=O)C3=CC=CC=C3 |
| InChIKey | OJNVQVXKXBOSSW-HOTGVXAUSA-N |
Product Overview
rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone (CAS 82864-16-2), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: [(2R,3S)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone.
Chemical Property Profile of rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone
Property Insights of rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone. With a topological polar surface area (TPSA) of 38.8 Ų, rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone 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 rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone?
The CAS number of rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone is 82864-16-2.
What is the molecular formula of rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone?
The molecular formula of rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone is C16H14O3.
What is the molecular weight of rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone?
The molecular weight of rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone is 254.09 g/mol.
Where can I buy rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone?
You can request a quote for rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone?
Yes, KEHONG BIO provides custom synthesis services for rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.