Isovallesiachotamine
TL;DR: Isovallesiachotamine (CAS 34384-71-9) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(Z)-1-oxobut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Also Known As: Isovallesiachotamine
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 3.2891 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 937.87933 |
Chemical Identifiers
| CAS Number | 34384-71-9 |
|---|---|
| SMILES | C/C=C(\C=O)/C1CC2C3=C(CCN2C=C1C(=O)OC)C4=CC=CC=C4N3 |
Product Overview
Isovallesiachotamine (CAS 34384-71-9), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: methyl 2-[(Z)-1-oxobut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate.
Chemical Property Profile of Isovallesiachotamine
Property Insights of Isovallesiachotamine
The XLogP value of 3.2891 indicates that Isovallesiachotamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Isovallesiachotamine. Following Lipinski's Rule of Five, Isovallesiachotamine has 1 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 Isovallesiachotamine?
The CAS number of Isovallesiachotamine is 34384-71-9.
What is the molecular formula of Isovallesiachotamine?
The molecular formula of Isovallesiachotamine is C21H22N2O3.
What is the molecular weight of Isovallesiachotamine?
The molecular weight of Isovallesiachotamine is 350.16 g/mol.
Where can I buy Isovallesiachotamine?
You can request a quote for Isovallesiachotamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovallesiachotamine?
Yes, KEHONG BIO provides custom synthesis services for Isovallesiachotamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.