山梗烷酮
TL;DR: 山梗烷酮 (CAS 579-21-5) is a chemical compound with molecular formula C22H25NO2 and molecular weight 335.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
山梗烷酮
2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethanone
Also Known As: Lobelanine, Lobelanidine, LOBELANINE, HYDROCHLORIDE, 1-Methyl-2,6-diphenacylpiperidine, J2.498.476A
| Molecular Formula | C22H25NO2 |
|---|---|
| Molecular Weight | 335.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.18854 |
| Heavy Atoms | 25 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 579-21-5 |
|---|---|
| SMILES | CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3 |
| InChIKey | IDEMKXUAULKYJV-UHFFFAOYSA-N |
Product Overview
山梗烷酮 (CAS 579-21-5), with molecular formula C22H25NO2 and molecular weight 335.19 g/mol. IUPAC: 2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethanone.
Chemical Property Profile of 山梗烷酮
Property Insights of 山梗烷酮
The XLogP value of 3.9 indicates that 山梗烷酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 山梗烷酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 山梗烷酮 has 0 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 山梗烷酮?
The CAS number of 山梗烷酮 is 579-21-5.
What is the molecular formula of 山梗烷酮?
The molecular formula of 山梗烷酮 is C22H25NO2.
What is the molecular weight of 山梗烷酮?
The molecular weight of 山梗烷酮 is 335.19 g/mol.
Where can I buy 山梗烷酮?
You can request a quote for 山梗烷酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 山梗烷酮?
Yes, KEHONG BIO provides custom synthesis services for 山梗烷酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.