洛贝林
TL;DR: 洛贝林 (CAS 90-69-7) is a chemical compound with molecular formula C22H27NO2 and molecular weight 337.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
洛贝林
2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone
Also Known As: lobeline, Inflatine, Lobelin, Lobelinum, Lobnico
| Molecular Formula | C22H27NO2 |
|---|---|
| Molecular Weight | 337.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.2042 |
| Heavy Atoms | 25 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 90-69-7 |
|---|---|
| SMILES | CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O |
| InChIKey | MXYUKLILVYORSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
洛贝林 (CAS 90-69-7), with molecular formula C22H27NO2 and molecular weight 337.20 g/mol. IUPAC: 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone.
Chemical Property Profile of 洛贝林
Property Insights of 洛贝林
The XLogP value of 3.8 indicates that 山梗菜碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 洛贝林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 山梗菜碱 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 山梗菜碱?
The CAS number of 山梗菜碱 is 90-69-7.
What is the molecular formula of 山梗菜碱?
The molecular formula of 山梗菜碱 is C22H27NO2.
What is the molecular weight of 山梗菜碱?
The molecular weight of 山梗菜碱 is 337.20 g/mol.
Where can I buy 山梗菜碱?
You can request a quote for 山梗菜碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 山梗菜碱?
Yes, KEHONG BIO provides custom synthesis services for 山梗菜碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.