5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol
TL;DR: 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol (CAS 331950-64-2) is a chemical compound with molecular formula C21H31NO and molecular weight 313.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-methyl-4-phenyl-1-piperidin-1-ylhept-2-yn-4-ol
Also Known As: BAS 00666904, 5-ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol, 5-ethyl-5-methyl-4-phenyl-1-piperidin-1-ylhept-2-yn-4-ol, 5-Ethyl-5-methyl-4-phenyl-1-piperidin-1-yl-hept-2-yn-4-ol
| Molecular Formula | C21H31NO |
|---|---|
| Molecular Weight | 313.24 g/mol |
| LogP | 4.1898 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.24057 |
| Heavy Atoms | 23 |
| Complexity | 531.95514 |
Chemical Identifiers
| CAS Number | 331950-64-2 |
|---|---|
| SMILES | CCC(C)(CC)C(C#CCN1CCCCC1)(C2=CC=CC=C2)O |
Product Overview
5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol (CAS 331950-64-2), with molecular formula C21H31NO and molecular weight 313.24 g/mol. IUPAC: 5-ethyl-5-methyl-4-phenyl-1-piperidin-1-ylhept-2-yn-4-ol.
Chemical Property Profile of 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol
Property Insights of 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol
The XLogP value of 4.1898 indicates that 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol 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 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol?
The CAS number of 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol is 331950-64-2.
What is the molecular formula of 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol?
The molecular formula of 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol is C21H31NO.
What is the molecular weight of 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol?
The molecular weight of 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol is 313.24 g/mol.
Where can I buy 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol?
You can request a quote for 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-5-methyl-4-phenyl-1-(piperidin-1-yl)hept-2-yn-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.