三甲利定
TL;DR: 三甲利定 (CAS 64-39-1) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三甲利定
[(2S,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate
Also Known As: Trimeperidine, Isopromedol, Promedol, Trimeperidina, Trimeperidinum
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 64-39-1 |
|---|---|
| SMILES | CCC(=O)OC1(C[C@@H](N(C[C@H]1C)C)C)C2=CC=CC=C2 |
| InChIKey | UVITTYOJFDLOGI-LICQEQMYSA-N |
Product Overview
三甲利定 (CAS 64-39-1), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: [(2S,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate.
Chemical Property Profile of 三甲利定
Property Insights of 三甲利定
The XLogP value of 3.1 indicates that 三甲利定 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 三甲利定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三甲利定 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 三甲利定?
The CAS number of 三甲利定 is 64-39-1.
What is the molecular formula of 三甲利定?
The molecular formula of 三甲利定 is C17H25NO2.
What is the molecular weight of 三甲利定?
The molecular weight of 三甲利定 is 275.19 g/mol.
Where can I buy 三甲利定?
You can request a quote for 三甲利定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三甲利定?
Yes, KEHONG BIO provides custom synthesis services for 三甲利定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.