Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)-
TL;DR: Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)- (CAS 68622-80-0) is a chemical compound with molecular formula C20H26N2O3 and molecular weight 342.19 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-8-methyl-15-oxido-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Also Known As: N-Oxyajmaline, Ajmaline N-oxide, N-oxy-ajmaline, Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)-, RefChem:317867
| Molecular Formula | C20H26N2O3 |
|---|---|
| Molecular Weight | 342.19 g/mol |
| LogP | 1.5671 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.19434 |
| Heavy Atoms | 25 |
| Complexity | 771.0631 |
Chemical Identifiers
| CAS Number | 68622-80-0 |
|---|---|
| SMILES | CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)[O-])O |
Product Overview
Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)- (CAS 68622-80-0), with molecular formula C20H26N2O3 and molecular weight 342.19 g/mol. IUPAC: (9R,10S,13S,14R,16S,18R)-13-ethyl-8-methyl-15-oxido-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol.
Chemical Property Profile of Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)-
Property Insights of Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)-
The XLogP value of 1.5671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)-. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)-. Following Lipinski's Rule of Five, Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)- 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 Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)-?
The CAS number of Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)- is 68622-80-0.
What is the molecular formula of Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)-?
The molecular formula of Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)- is C20H26N2O3.
What is the molecular weight of Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)-?
The molecular weight of Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)- is 342.19 g/mol.
Where can I buy Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)-?
You can request a quote for Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.