Alstovenine
TL;DR: Alstovenine (CAS 4837-79-0) is a chemical compound with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15S,18R,19S,20S)-18-hydroxy-8-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: Alstovenine, Isovenenatine, 3-Isovenenatine, Isovenantin, methyl (1S,15S,18R,19S,20S)-18-hydroxy-8-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 4837-79-0 |
|---|---|
| SMILES | COC1=CC=CC2=C1C3=C(N2)[C@@H]4C[C@H]5[C@H](CC[C@H]([C@H]5C(=O)OC)O)CN4CC3 |
| InChIKey | WMMZYEBFJWWUJX-IFBQROQASA-N |
Product Overview
Alstovenine (CAS 4837-79-0), with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol. IUPAC: methyl (1S,15S,18R,19S,20S)-18-hydroxy-8-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.
Chemical Property Profile of Alstovenine
Property Insights of Alstovenine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alstovenine. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Alstovenine. Following Lipinski's Rule of Five, Alstovenine has 2 hydrogen bond donor(s) and 5 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 Alstovenine?
The CAS number of Alstovenine is 4837-79-0.
What is the molecular formula of Alstovenine?
The molecular formula of Alstovenine is C22H28N2O4.
What is the molecular weight of Alstovenine?
The molecular weight of Alstovenine is 384.20 g/mol.
Where can I buy Alstovenine?
You can request a quote for Alstovenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alstovenine?
Yes, KEHONG BIO provides custom synthesis services for Alstovenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.