Venalstonidine
TL;DR: Venalstonidine (CAS 26619-93-2) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,2R,4S,17R,18R,22R)-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-carboxylate
Also Known As: Venalstonidine, (-)-Venalstonidine, 6,7-Epoxykopsinine, Methyl 6,7-epoxyaspidofractinine-21-carboxylate, (2r,5s)-6a,7a-epoxyaspidofractinine-3?-carboxylic acid methyl ester
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 26619-93-2 |
|---|---|
| SMILES | COC(=O)[C@@H]1C[C@@]23CC[C@]14C5([C@H]2N(CC5)C[C@H]6[C@@H]3O6)C7=CC=CC=C7N4 |
| InChIKey | PKVIZXKEMISSGB-JDGDXTPDSA-N |
Product Overview
Venalstonidine (CAS 26619-93-2), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: methyl (1S,2R,4S,17R,18R,22R)-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-carboxylate.
Chemical Property Profile of Venalstonidine
Property Insights of Venalstonidine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Venalstonidine. With a topological polar surface area (TPSA) of 54.1 Ų, Venalstonidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Venalstonidine has 1 hydrogen bond donor(s) and 5 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 Venalstonidine?
The CAS number of Venalstonidine is 26619-93-2.
What is the molecular formula of Venalstonidine?
The molecular formula of Venalstonidine is C21H24N2O3.
What is the molecular weight of Venalstonidine?
The molecular weight of Venalstonidine is 352.18 g/mol.
Where can I buy Venalstonidine?
You can request a quote for Venalstonidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Venalstonidine?
Yes, KEHONG BIO provides custom synthesis services for Venalstonidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.