(3E)-3-hydroxyimino-4-phenylbutan-2-one
TL;DR: (3E)-3-hydroxyimino-4-phenylbutan-2-one (CAS 5440-25-5) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-hydroxyimino-4-phenylbutan-2-one
Also Known As: 3-hydroxyimino-4-phenylbutan-2-one, 2,3-Butanedione,1-phenyl-,2-oxime, (3E)-3-hydroxyimino-4-phenylbutan-2-one
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 1.6483 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 316.95645 |
Chemical Identifiers
| CAS Number | 5440-25-5 |
|---|---|
| SMILES | CC(=O)/C(=N/O)/CC1=CC=CC=C1 |
Product Overview
(3E)-3-hydroxyimino-4-phenylbutan-2-one (CAS 5440-25-5), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: (3E)-3-hydroxyimino-4-phenylbutan-2-one.
Chemical Property Profile of (3E)-3-hydroxyimino-4-phenylbutan-2-one
Property Insights of (3E)-3-hydroxyimino-4-phenylbutan-2-one
The XLogP value of 1.6483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-3-hydroxyimino-4-phenylbutan-2-one. With a topological polar surface area (TPSA) of 49.66 Ų, (3E)-3-hydroxyimino-4-phenylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-3-hydroxyimino-4-phenylbutan-2-one has 1 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 (3E)-3-hydroxyimino-4-phenylbutan-2-one?
The CAS number of (3E)-3-hydroxyimino-4-phenylbutan-2-one is 5440-25-5.
What is the molecular formula of (3E)-3-hydroxyimino-4-phenylbutan-2-one?
The molecular formula of (3E)-3-hydroxyimino-4-phenylbutan-2-one is C10H11NO2.
What is the molecular weight of (3E)-3-hydroxyimino-4-phenylbutan-2-one?
The molecular weight of (3E)-3-hydroxyimino-4-phenylbutan-2-one is 177.08 g/mol.
Where can I buy (3E)-3-hydroxyimino-4-phenylbutan-2-one?
You can request a quote for (3E)-3-hydroxyimino-4-phenylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-3-hydroxyimino-4-phenylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-hydroxyimino-4-phenylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.