Ajmalan
TL;DR: Ajmalan (CAS 34612-39-0) is a chemical compound with molecular formula C20H26N2 and molecular weight 294.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9R,10S,12S,13S,16S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene
Also Known As: ajmalan, (1S,9R,10S,12S,13S,16S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene, (1S,9R,10S,12S,13S,16S)-13-ethyl-8-methyl-8,15-diazahexacyclo(14.2.1.01,9.02,7.010,15.012,17)nonadeca-2,4,6-triene, RefChem:110317
| Molecular Formula | C20H26N2 |
|---|---|
| Molecular Weight | 294.21 g/mol |
| LogP | 3.2653 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.2096 |
| Heavy Atoms | 22 |
| Complexity | 654.86224 |
Chemical Identifiers
| CAS Number | 34612-39-0 |
|---|---|
| SMILES | CC[C@@H]1CN2[C@H]3C[C@@H]1C4[C@@H]2C[C@]5(C4)[C@H]3N(C6=CC=CC=C56)C |
Product Overview
Ajmalan (CAS 34612-39-0), with molecular formula C20H26N2 and molecular weight 294.21 g/mol. IUPAC: (1S,9R,10S,12S,13S,16S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene.
Chemical Property Profile of Ajmalan
Property Insights of Ajmalan
The XLogP value of 3.2653 indicates that Ajmalan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, Ajmalan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ajmalan has 0 hydrogen bond donor(s) and 2 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?
The CAS number of Ajmalan is 34612-39-0.
What is the molecular formula of Ajmalan?
The molecular formula of Ajmalan is C20H26N2.
What is the molecular weight of Ajmalan?
The molecular weight of Ajmalan is 294.21 g/mol.
Where can I buy Ajmalan?
You can request a quote for Ajmalan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajmalan?
Yes, KEHONG BIO provides custom synthesis services for Ajmalan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.