胡椒林碱
TL;DR: 胡椒林碱 (CAS 54976-54-4) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胡椒林碱
(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpenta-2,4-dien-1-one
Also Known As: Piperyline, Trichostachine, Piperylin, Trichostachin, Piperiline
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 54976-54-4 |
|---|---|
| SMILES | C1CCN(C1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3 |
| InChIKey | GQIJYUMTOUBHSH-IJIVKGSJSA-N |
Product Overview
胡椒林碱 (CAS 54976-54-4), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpenta-2,4-dien-1-one.
Chemical Property Profile of 胡椒林碱
Property Insights of 胡椒林碱
The XLogP value of 3.1 indicates that 胡椒林碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 胡椒林碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 胡椒林碱 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 胡椒林碱?
The CAS number of 胡椒林碱 is 54976-54-4.
What is the molecular formula of 胡椒林碱?
The molecular formula of 胡椒林碱 is C16H17NO3.
What is the molecular weight of 胡椒林碱?
The molecular weight of 胡椒林碱 is 271.12 g/mol.
Where can I buy 胡椒林碱?
You can request a quote for 胡椒林碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胡椒林碱?
Yes, KEHONG BIO provides custom synthesis services for 胡椒林碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.