trans-Benzalacetophenone oxide
TL;DR: trans-Benzalacetophenone oxide (CAS 877-97-4) is a chemical compound with molecular formula C15H12O2 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
Also Known As: Chalcone epoxide, trans-Benzalacetophenone oxide, trans-2-Benzoyl-3-phenyloxirane, 2alpha-Phenyl-3beta-benzoyloxirane, 3beta-Benzoyl-2alpha-phenyloxirane
| Molecular Formula | C15H12O2 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.08372 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 877-97-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@@H]2[C@H](O2)C(=O)C3=CC=CC=C3 |
| InChIKey | UQGMJZQVDNZRKT-HUUCEWRRSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-Benzalacetophenone oxide (CAS 877-97-4), with molecular formula C15H12O2 and molecular weight 224.08 g/mol. IUPAC: phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone.
Chemical Property Profile of trans-Benzalacetophenone oxide
Property Insights of trans-Benzalacetophenone oxide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-Benzalacetophenone oxide. With a topological polar surface area (TPSA) of 29.6 Ų, trans-Benzalacetophenone oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Benzalacetophenone oxide 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 trans-Benzalacetophenone oxide?
The CAS number of trans-Benzalacetophenone oxide is 877-97-4.
What is the molecular formula of trans-Benzalacetophenone oxide?
The molecular formula of trans-Benzalacetophenone oxide is C15H12O2.
What is the molecular weight of trans-Benzalacetophenone oxide?
The molecular weight of trans-Benzalacetophenone oxide is 224.08 g/mol.
Where can I buy trans-Benzalacetophenone oxide?
You can request a quote for trans-Benzalacetophenone oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Benzalacetophenone oxide?
Yes, KEHONG BIO provides custom synthesis services for trans-Benzalacetophenone oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.