2-Butanone, 4-(phenylimino)-
TL;DR: 2-Butanone, 4-(phenylimino)- (CAS 67318-22-3) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyliminobutan-2-one
Also Known As: 4-phenyliminobutan-2-one, 2-Butanone, 4-(phenylimino)-, (4E)-4-(Phenylimino)butan-2-one
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 67318-22-3 |
|---|---|
| SMILES | CC(=O)CC=NC1=CC=CC=C1 |
| InChIKey | QOUWWRLGNFPVLX-UHFFFAOYSA-N |
Product Overview
2-Butanone, 4-(phenylimino)- (CAS 67318-22-3), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 4-phenyliminobutan-2-one.
Chemical Property Profile of 2-Butanone, 4-(phenylimino)-
Property Insights of 2-Butanone, 4-(phenylimino)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 4-(phenylimino)-. With a topological polar surface area (TPSA) of 29.4 Ų, 2-Butanone, 4-(phenylimino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 4-(phenylimino)- 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 2-Butanone, 4-(phenylimino)-?
The CAS number of 2-Butanone, 4-(phenylimino)- is 67318-22-3.
What is the molecular formula of 2-Butanone, 4-(phenylimino)-?
The molecular formula of 2-Butanone, 4-(phenylimino)- is C10H11NO.
What is the molecular weight of 2-Butanone, 4-(phenylimino)-?
The molecular weight of 2-Butanone, 4-(phenylimino)- is 161.08 g/mol.
Where can I buy 2-Butanone, 4-(phenylimino)-?
You can request a quote for 2-Butanone, 4-(phenylimino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 4-(phenylimino)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 4-(phenylimino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.