Isoajmaline
TL;DR: Isoajmaline (CAS 90340-79-7) 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,12S,13R,14S,16S,18R)-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: ISOAJMALINE, KST-1A8803, (15, A,17r,20, A,21
| Molecular Formula | C20H26N2O2 |
|---|---|
| Molecular Weight | 326.20 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.19943 |
| Heavy Atoms | 24 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 90340-79-7 |
|---|---|
| SMILES | CC[C@@H]1[C@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2[C@H]5O)N3[C@H]1O)C6=CC=CC=C6N4C |
| InChIKey | CJDRUOGAGYHKKD-AVQYEUALSA-N |
Product Overview
Isoajmaline (CAS 90340-79-7), with molecular formula C20H26N2O2 and molecular weight 326.20 g/mol. IUPAC: (1R,9R,10S,12S,13R,14S,16S,18R)-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 Isoajmaline
Property Insights of Isoajmaline
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoajmaline. With a topological polar surface area (TPSA) of 46.9 Ų, Isoajmaline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoajmaline 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 Isoajmaline?
The CAS number of Isoajmaline is 90340-79-7.
What is the molecular formula of Isoajmaline?
The molecular formula of Isoajmaline is C20H26N2O2.
What is the molecular weight of Isoajmaline?
The molecular weight of Isoajmaline is 326.20 g/mol.
Where can I buy Isoajmaline?
You can request a quote for Isoajmaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoajmaline?
Yes, KEHONG BIO provides custom synthesis services for Isoajmaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.