Villalstonine
TL;DR: Villalstonine (CAS 2723-56-0) is a chemical compound with molecular formula C41H48N4O4 and molecular weight 660.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 27-ethylidene-8,21,40-trimethyl-20,22-dioxa-8,25,30,40-tetrazaundecacyclo[23.11.2.16,17.124,28.01,23.03,21.04,18.07,15.09,14.023,30.031,36]tetraconta-7(15),9,11,13,31,33,35-heptaene-29-carboxylate
Also Known As: Villalstonine
| Molecular Formula | C41H48N4O4 |
|---|---|
| Molecular Weight | 660.37 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 660.36755 |
| Heavy Atoms | 49 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 2723-56-0 |
|---|---|
| SMILES | CC=C1CN2CCC34CC5C6CC7C8=C(CC(C6COC5(OC39C2CC1C(N9C1=CC=CC=C41)C(=O)OC)C)N7C)C1=CC=CC=C1N8C |
| InChIKey | XXNYZYBYNFRERU-UHFFFAOYSA-N |
Product Overview
Villalstonine (CAS 2723-56-0), with molecular formula C41H48N4O4 and molecular weight 660.37 g/mol. IUPAC: methyl 27-ethylidene-8,21,40-trimethyl-20,22-dioxa-8,25,30,40-tetrazaundecacyclo[23.11.2.16,17.124,28.01,23.03,21.04,18.07,15.09,14.023,30.031,36]tetraconta-7(15),9,11,13,31,33,35-heptaene-29-carboxylate.
Chemical Property Profile of Villalstonine
Property Insights of Villalstonine
The XLogP value of 5.2 indicates that Villalstonine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, Villalstonine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Villalstonine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Villalstonine?
The CAS number of Villalstonine is 2723-56-0.
What is the molecular formula of Villalstonine?
The molecular formula of Villalstonine is C41H48N4O4.
What is the molecular weight of Villalstonine?
The molecular weight of Villalstonine is 660.37 g/mol.
Where can I buy Villalstonine?
You can request a quote for Villalstonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Villalstonine?
Yes, KEHONG BIO provides custom synthesis services for Villalstonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.