荜茇酰胺
TL;DR: 荜茇酰胺 (CAS 5950-12-9) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
荜茇酰胺
5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide
Also Known As: Piperlonguminine, 5-(1,3-benzodioxol-5-yl)-N-isobutyl-penta-2,4-dienamide, 5-BENZO[1,3]DIOXOL-5-YL-N-(2-METHYLPROPYL)PENTA-2,4-DIENAMIDE, (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-isobutyl-penta-2,4-dienamide, 5-(1,3-benzodioxol-5-yl)-n-(2-methylpropyl)penta-2,4-dienamide
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 5950-12-9 |
|---|---|
| SMILES | CC(C)CNC(=O)C=CC=CC1=CC2=C(C=C1)OCO2 |
| InChIKey | WHAAPCGHVWVUEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
荜茇酰胺 (CAS 5950-12-9), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide.
Chemical Property Profile of 荜茇酰胺
Property Insights of 荜茇酰胺
The XLogP value of 3.8 indicates that 荜茇酰胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 荜茇酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 荜茇酰胺 has 1 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 荜茇酰胺?
The CAS number of 荜茇酰胺 is 5950-12-9.
What is the molecular formula of 荜茇酰胺?
The molecular formula of 荜茇酰胺 is C16H19NO3.
What is the molecular weight of 荜茇酰胺?
The molecular weight of 荜茇酰胺 is 273.14 g/mol.
Where can I buy 荜茇酰胺?
You can request a quote for 荜茇酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 荜茇酰胺?
Yes, KEHONG BIO provides custom synthesis services for 荜茇酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.