Ajmalimine
TL;DR: Ajmalimine (CAS 59846-31-0) is a chemical compound with molecular formula C30H36N2O6 and molecular weight 520.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9R,10S,13S,14R,16S,18R)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 3,4,5-trimethoxybenzoate
Also Known As: Ajmalimine, Willicourtine, RefChem:110320
| Molecular Formula | C30H36N2O6 |
|---|---|
| Molecular Weight | 520.26 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.2573 |
| Heavy Atoms | 38 |
| Complexity | 920.0 |
Chemical Identifiers
| CAS Number | 59846-31-0 |
|---|---|
| SMILES | CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4OC(=O)C7=CC(=C(C(=C7)OC)OC)OC)O |
| InChIKey | JCRQPLRRHXVYJF-QVDNGVAISA-N |
Product Overview
Ajmalimine (CAS 59846-31-0), with molecular formula C30H36N2O6 and molecular weight 520.26 g/mol. IUPAC: [(9R,10S,13S,14R,16S,18R)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Ajmalimine
Property Insights of Ajmalimine
The XLogP value of 4.0 indicates that Ajmalimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajmalimine. Following Lipinski's Rule of Five, Ajmalimine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ajmalimine?
The CAS number of Ajmalimine is 59846-31-0.
What is the molecular formula of Ajmalimine?
The molecular formula of Ajmalimine is C30H36N2O6.
What is the molecular weight of Ajmalimine?
The molecular weight of Ajmalimine is 520.26 g/mol.
Where can I buy Ajmalimine?
You can request a quote for Ajmalimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajmalimine?
Yes, KEHONG BIO provides custom synthesis services for Ajmalimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.