(Oxirane-2,3-diyl)bis(phenylmethanone)
TL;DR: (Oxirane-2,3-diyl)bis(phenylmethanone) (CAS 4440-98-6) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyloxiran-2-yl)-phenylmethanone
Also Known As: 2,3-Dibenzoyloxirane, 1,3-epoxy-1,4-butanedione, Methanone, 2,3-oxiranediylbis[phenyl-, 1, 1,4-diphenyl-2,3-epoxy-, Methanone,3-oxiranediylbis[phenyl-
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 4440-98-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2C(O2)C(=O)C3=CC=CC=C3 |
| InChIKey | ADFLDJCSCJHDEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Oxirane-2,3-diyl)bis(phenylmethanone) (CAS 4440-98-6), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: (3-benzoyloxiran-2-yl)-phenylmethanone.
Chemical Property Profile of (Oxirane-2,3-diyl)bis(phenylmethanone)
Property Insights of (Oxirane-2,3-diyl)bis(phenylmethanone)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Oxirane-2,3-diyl)bis(phenylmethanone). With a topological polar surface area (TPSA) of 46.7 Ų, (Oxirane-2,3-diyl)bis(phenylmethanone) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Oxirane-2,3-diyl)bis(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 (Oxirane-2,3-diyl)bis(phenylmethanone)?
The CAS number of (Oxirane-2,3-diyl)bis(phenylmethanone) is 4440-98-6.
What is the molecular formula of (Oxirane-2,3-diyl)bis(phenylmethanone)?
The molecular formula of (Oxirane-2,3-diyl)bis(phenylmethanone) is C16H12O3.
What is the molecular weight of (Oxirane-2,3-diyl)bis(phenylmethanone)?
The molecular weight of (Oxirane-2,3-diyl)bis(phenylmethanone) is 252.08 g/mol.
Where can I buy (Oxirane-2,3-diyl)bis(phenylmethanone)?
You can request a quote for (Oxirane-2,3-diyl)bis(phenylmethanone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Oxirane-2,3-diyl)bis(phenylmethanone)?
Yes, KEHONG BIO provides custom synthesis services for (Oxirane-2,3-diyl)bis(phenylmethanone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.