藜芦胺
TL;DR: 藜芦胺 (CAS 60-70-8) is a chemical compound with molecular formula C27H39NO2 and molecular weight 409.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
藜芦胺
(2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol
Also Known As: VERATRAMINE, Vreaframine, Veratramine (Standard), VERATRAMINE [MI], s3911
| Molecular Formula | C27H39NO2 |
|---|---|
| Molecular Weight | 409.30 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.29807 |
| Heavy Atoms | 30 |
| Complexity | 676.0 |
| Melting Point | MP: 209.5-210.5 °C /HYDRATE/ |
| Solubility | SLIGHTLY SOL IN WATER; SOL IN METHANOL, ALC |
Chemical Identifiers
| CAS Number | 60-70-8 |
|---|---|
| SMILES | C[C@H]1C[C@H]([C@@H](NC1)[C@@H](C)C2=C(C3=C(C=C2)[C@@H]4CC=C5C[C@H](CC[C@@]5([C@H]4C3)C)O)C)O |
| InChIKey | MALFODICFSIXPO-KFKQDBFTSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
藜芦胺 (CAS 60-70-8), with molecular formula C27H39NO2 and molecular weight 409.30 g/mol. IUPAC: (2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol.
Chemical Property Profile of 藜芦胺
Property Insights of 藜芦胺
The XLogP value of 4.3 indicates that 藜芦胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, 藜芦胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 藜芦胺 has 3 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 藜芦胺?
The CAS number of 藜芦胺 is 60-70-8.
What is the molecular formula of 藜芦胺?
The molecular formula of 藜芦胺 is C27H39NO2.
What is the molecular weight of 藜芦胺?
The molecular weight of 藜芦胺 is 409.30 g/mol.
Where can I buy 藜芦胺?
You can request a quote for 藜芦胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 藜芦胺?
Yes, KEHONG BIO provides custom synthesis services for 藜芦胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.