Butaverine
TL;DR: Butaverine (CAS 2116-18-9) is a chemical compound with molecular formula C18H27NO2 and molecular weight 289.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-phenyl-3-piperidin-1-ylpropanoate
Also Known As: Butaverine, Butaverina, Butaverinum, Gemora, Espasmo-gemora
| Molecular Formula | C18H27NO2 |
|---|---|
| Molecular Weight | 289.20 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 289.2042 |
| Heavy Atoms | 21 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 2116-18-9 |
|---|---|
| SMILES | CCCCOC(=O)CC(C1=CC=CC=C1)N2CCCCC2 |
| InChIKey | WQDZHQZKJMNOAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butaverine (CAS 2116-18-9), with molecular formula C18H27NO2 and molecular weight 289.20 g/mol. IUPAC: butyl 3-phenyl-3-piperidin-1-ylpropanoate.
Chemical Property Profile of Butaverine
Property Insights of Butaverine
The XLogP value of 3.7 indicates that Butaverine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Butaverine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butaverine has 0 hydrogen bond donor(s) and 3 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 Butaverine?
The CAS number of Butaverine is 2116-18-9.
What is the molecular formula of Butaverine?
The molecular formula of Butaverine is C18H27NO2.
What is the molecular weight of Butaverine?
The molecular weight of Butaverine is 289.20 g/mol.
Where can I buy Butaverine?
You can request a quote for Butaverine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butaverine?
Yes, KEHONG BIO provides custom synthesis services for Butaverine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.