Verruculotoxin
TL;DR: Verruculotoxin (CAS 6343-97-1) is a chemical compound with molecular formula C15H20N2O and molecular weight 244.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,9aS)-3-benzyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-1-one
Also Known As: Verruculotoxin, Compound NP-012253, KST-1A6945, KST-1A6946, 1-oxo-3-benzyloctahydro-2H-pyrido(1,2-a)pyrazine
| Molecular Formula | C15H20N2O |
|---|---|
| Molecular Weight | 244.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.15756 |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 6343-97-1 |
|---|---|
| SMILES | C1CCN2C[C@@H](NC(=O)[C@@H]2C1)CC3=CC=CC=C3 |
| InChIKey | CUANCTHYEDWUMU-KBPBESRZSA-N |
Product Overview
Verruculotoxin (CAS 6343-97-1), with molecular formula C15H20N2O and molecular weight 244.16 g/mol. IUPAC: (3S,9aS)-3-benzyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-1-one.
Chemical Property Profile of Verruculotoxin
Property Insights of Verruculotoxin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Verruculotoxin. With a topological polar surface area (TPSA) of 32.3 Ų, Verruculotoxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Verruculotoxin has 1 hydrogen bond donor(s) and 2 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 Verruculotoxin?
The CAS number of Verruculotoxin is 6343-97-1.
What is the molecular formula of Verruculotoxin?
The molecular formula of Verruculotoxin is C15H20N2O.
What is the molecular weight of Verruculotoxin?
The molecular weight of Verruculotoxin is 244.16 g/mol.
Where can I buy Verruculotoxin?
You can request a quote for Verruculotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Verruculotoxin?
Yes, KEHONG BIO provides custom synthesis services for Verruculotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.