Astonilin
TL;DR: Astonilin (CAS 77837-05-9) is a chemical compound with molecular formula C22H19N2O3+ and molecular weight 359.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methoxy-11,12-dihydro-3H-yohimban-13-ium-19-carboxylate
Also Known As: Alstoniline, Astonilin, 11-methoxy-16-(methoxycarbonyl)-3,4,14,15,16,17,18,19,20,21-decadehydroyohimban-4-ium, 7H-Benz(g)indolo(2,3-a)quinolizin-6-ium, 8,13-dihydro-11-methoxy-1-(methoxycarbonyl)-, 11-Methoxy-16-(methoxycarbonyl)-1,3,14,15,16,17,18,19,20,21-decadehydroyohimban-1-ium
| Molecular Formula | C22H19N2O3+ |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.13956 |
| Heavy Atoms | 27 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 77837-05-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(N2)C4=[N+](CC3)C=C5C=CC=C(C5=C4)C(=O)OC |
| InChIKey | AOYRRECTYMVUTP-UHFFFAOYSA-O |
Product Overview
Astonilin (CAS 77837-05-9), with molecular formula C22H19N2O3+ and molecular weight 359.14 g/mol. IUPAC: methyl 6-methoxy-11,12-dihydro-3H-yohimban-13-ium-19-carboxylate.
Chemical Property Profile of Astonilin
Property Insights of Astonilin
The XLogP value of 3.8 indicates that Astonilin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, Astonilin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Astonilin has 1 hydrogen bond donor(s) and 3 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 Astonilin?
The CAS number of Astonilin is 77837-05-9.
What is the molecular formula of Astonilin?
The molecular formula of Astonilin is C22H19N2O3+.
What is the molecular weight of Astonilin?
The molecular weight of Astonilin is 359.14 g/mol.
Where can I buy Astonilin?
You can request a quote for Astonilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Astonilin?
Yes, KEHONG BIO provides custom synthesis services for Astonilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.