Echitovenidine
TL;DR: Echitovenidine (CAS 7222-35-7) is a chemical compound with molecular formula C26H32N2O4 and molecular weight 436.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,12R,19R)-12-[1-(3-methylbut-2-enoyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
Also Known As: Echitovenidine, Aspidospermidine-3-carboxylic acid, 2,3-didehydro-20-((3-methyl-1-oxo-2-butenyl)oxy)-, methyl ester, (5-alpha,12-beta,19-alpha,20R)-, methyl (1R,12R,19R)-12-[1-(3-methylbut-2-enoyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate, Methyl 20-[(3-methylbut-2-enoyl)oxy]-2,3-didehydroaspidospermidine-3-carboxylate, Methyl 20-[(3-methylbut-2-enoyl)oxy]-12beta,19alpha-2,3-didehydroaspidospermidine-3-carboxylate
| Molecular Formula | C26H32N2O4 |
|---|---|
| Molecular Weight | 436.24 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.2362 |
| Heavy Atoms | 32 |
| Complexity | 875.0 |
Chemical Identifiers
| CAS Number | 7222-35-7 |
|---|---|
| SMILES | CC([C@@]12CCCN3[C@@H]1[C@@]4(CC3)C5=CC=CC=C5NC4=C(C2)C(=O)OC)OC(=O)C=C(C)C |
| InChIKey | JJCJKGZUGDPHMN-RURBMAKNSA-N |
Product Overview
Echitovenidine (CAS 7222-35-7), with molecular formula C26H32N2O4 and molecular weight 436.24 g/mol. IUPAC: methyl (1R,12R,19R)-12-[1-(3-methylbut-2-enoyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate.
Chemical Property Profile of Echitovenidine
Property Insights of Echitovenidine
The XLogP value of 4.4 indicates that Echitovenidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Echitovenidine. Following Lipinski's Rule of Five, Echitovenidine has 1 hydrogen bond donor(s) and 6 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 Echitovenidine?
The CAS number of Echitovenidine is 7222-35-7.
What is the molecular formula of Echitovenidine?
The molecular formula of Echitovenidine is C26H32N2O4.
What is the molecular weight of Echitovenidine?
The molecular weight of Echitovenidine is 436.24 g/mol.
Where can I buy Echitovenidine?
You can request a quote for Echitovenidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Echitovenidine?
Yes, KEHONG BIO provides custom synthesis services for Echitovenidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.