(3e)-1-Phenyl-3-(phenylimino)butan-1-one
TL;DR: (3e)-1-Phenyl-3-(phenylimino)butan-1-one (CAS 39561-98-3) is a chemical compound with molecular formula C16H15NO and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-phenyliminobutan-1-one
Also Known As: 1-phenyl-3-(phenylimino)butan-1-one, (3e)-1-phenyl-3-(phenylimino)butan-1-one, 1-phenyl-3-phenyliminobutan-1-one, 1-phenyl-3-(phenylimino)-1-butanone, 1-Butanone, 1-phenyl-3-(phenylimino)-
| Molecular Formula | C16H15NO |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.11537 |
| Heavy Atoms | 18 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 39561-98-3 |
|---|---|
| SMILES | CC(=NC1=CC=CC=C1)CC(=O)C2=CC=CC=C2 |
| InChIKey | OUILAXKWRISQKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3e)-1-Phenyl-3-(phenylimino)butan-1-one (CAS 39561-98-3), with molecular formula C16H15NO and molecular weight 237.12 g/mol. IUPAC: 1-phenyl-3-phenyliminobutan-1-one.
Chemical Property Profile of (3e)-1-Phenyl-3-(phenylimino)butan-1-one
Property Insights of (3e)-1-Phenyl-3-(phenylimino)butan-1-one
The XLogP value of 3.3 indicates that (3e)-1-Phenyl-3-(phenylimino)butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, (3e)-1-Phenyl-3-(phenylimino)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3e)-1-Phenyl-3-(phenylimino)butan-1-one 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 (3e)-1-Phenyl-3-(phenylimino)butan-1-one?
The CAS number of (3e)-1-Phenyl-3-(phenylimino)butan-1-one is 39561-98-3.
What is the molecular formula of (3e)-1-Phenyl-3-(phenylimino)butan-1-one?
The molecular formula of (3e)-1-Phenyl-3-(phenylimino)butan-1-one is C16H15NO.
What is the molecular weight of (3e)-1-Phenyl-3-(phenylimino)butan-1-one?
The molecular weight of (3e)-1-Phenyl-3-(phenylimino)butan-1-one is 237.12 g/mol.
Where can I buy (3e)-1-Phenyl-3-(phenylimino)butan-1-one?
You can request a quote for (3e)-1-Phenyl-3-(phenylimino)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3e)-1-Phenyl-3-(phenylimino)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for (3e)-1-Phenyl-3-(phenylimino)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.