ajmaline
TL;DR: ajmaline (CAS 509-37-5) is a chemical compound with molecular formula C20H26N2O2 and molecular weight 326.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R,10S,12R,13S,14R,16S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Also Known As: ajmaline, Cardiorythmine, Cartagine, Ajmalan-17(S),21alpha-diol, ERK5-6H14
| Molecular Formula | C20H26N2O2 |
|---|---|
| Molecular Weight | 326.20 g/mol |
| LogP | 1.5545 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.19943 |
| Heavy Atoms | 24 |
| Complexity | 723.34534 |
Chemical Identifiers
| CAS Number | 509-37-5 |
|---|---|
| SMILES | CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2C5O)N3[C@@H]1O)C6=CC=CC=C6N4C |
Product Overview
ajmaline (CAS 509-37-5), with molecular formula C20H26N2O2 and molecular weight 326.20 g/mol. IUPAC: (1R,9R,10S,12R,13S,14R,16S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol.
Chemical Property Profile of ajmaline
Property Insights of ajmaline
The XLogP value of 1.5545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ajmaline. With a topological polar surface area (TPSA) of 46.94 Ų, ajmaline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ajmaline has 2 hydrogen bond donor(s) and 4 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 ajmaline?
The CAS number of ajmaline is 509-37-5.
What is the molecular formula of ajmaline?
The molecular formula of ajmaline is C20H26N2O2.
What is the molecular weight of ajmaline?
The molecular weight of ajmaline is 326.20 g/mol.
Where can I buy ajmaline?
You can request a quote for ajmaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ajmaline?
Yes, KEHONG BIO provides custom synthesis services for ajmaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.