1-Octanone, 1-phenyl-, oxime
TL;DR: 1-Octanone, 1-phenyl-, oxime (CAS 77611-70-2) is a chemical compound with molecular formula C14H21NO and molecular weight 219.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-phenyloctylidene)hydroxylamine
Also Known As: 1-Octanone, 1-phenyl-, oxime, N-(1-phenyloctylidene)hydroxylamine, 1-Octanone,1-phenyl-,oxime, RefChem:232551
| Molecular Formula | C14H21NO |
|---|---|
| Molecular Weight | 219.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 219.16231 |
| Heavy Atoms | 16 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 77611-70-2 |
|---|---|
| SMILES | CCCCCCCC(=NO)C1=CC=CC=C1 |
| InChIKey | KWAWZYOGDNCRLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Octanone, 1-phenyl-, oxime (CAS 77611-70-2), with molecular formula C14H21NO and molecular weight 219.16 g/mol. IUPAC: N-(1-phenyloctylidene)hydroxylamine.
Chemical Property Profile of 1-Octanone, 1-phenyl-, oxime
Property Insights of 1-Octanone, 1-phenyl-, oxime
The XLogP value of 4.9 indicates that 1-Octanone, 1-phenyl-, 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-Octanone, 1-phenyl-, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octanone, 1-phenyl-, 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-Octanone, 1-phenyl-, oxime?
The CAS number of 1-Octanone, 1-phenyl-, oxime is 77611-70-2.
What is the molecular formula of 1-Octanone, 1-phenyl-, oxime?
The molecular formula of 1-Octanone, 1-phenyl-, oxime is C14H21NO.
What is the molecular weight of 1-Octanone, 1-phenyl-, oxime?
The molecular weight of 1-Octanone, 1-phenyl-, oxime is 219.16 g/mol.
Where can I buy 1-Octanone, 1-phenyl-, oxime?
You can request a quote for 1-Octanone, 1-phenyl-, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octanone, 1-phenyl-, oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-Octanone, 1-phenyl-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.