1-(3-phenanthryl)ethanone oxime
TL;DR: 1-(3-phenanthryl)ethanone oxime (CAS 5968-50-3) is a chemical compound with molecular formula C16H13NO and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-phenanthren-3-ylethylidene)hydroxylamine
Also Known As: 1-(3-phenanthryl)ethanone oxime, METHYL 3-PHENANTHRYL KETONE OXIME, N-(1-phenanthren-3-ylethylidene)hydroxylamine
| Molecular Formula | C16H13NO |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.09972 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 5968-50-3 |
|---|---|
| SMILES | CC(=NO)C1=CC2=C(C=CC3=CC=CC=C32)C=C1 |
| InChIKey | KBJZNSAZGOKTFN-UHFFFAOYSA-N |
Product Overview
1-(3-phenanthryl)ethanone oxime (CAS 5968-50-3), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: N-(1-phenanthren-3-ylethylidene)hydroxylamine.
Chemical Property Profile of 1-(3-phenanthryl)ethanone oxime
Property Insights of 1-(3-phenanthryl)ethanone oxime
The XLogP value of 4.4 indicates that 1-(3-phenanthryl)ethanone oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.6 Ų, 1-(3-phenanthryl)ethanone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-phenanthryl)ethanone oxime has 1 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 1-(3-phenanthryl)ethanone oxime?
The CAS number of 1-(3-phenanthryl)ethanone oxime is 5968-50-3.
What is the molecular formula of 1-(3-phenanthryl)ethanone oxime?
The molecular formula of 1-(3-phenanthryl)ethanone oxime is C16H13NO.
What is the molecular weight of 1-(3-phenanthryl)ethanone oxime?
The molecular weight of 1-(3-phenanthryl)ethanone oxime is 235.10 g/mol.
Where can I buy 1-(3-phenanthryl)ethanone oxime?
You can request a quote for 1-(3-phenanthryl)ethanone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-phenanthryl)ethanone oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-phenanthryl)ethanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.