4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester)
TL;DR: 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester) (CAS 3733-88-8) is a chemical compound with molecular formula C23H29NO6 and molecular weight 415.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;[1-(2-phenylethyl)-4-prop-2-ynylpiperidin-4-yl] propanoate
Also Known As: L 2909, 1-Phenethyl-4-(2-propynyl)-4-piperidinol propionate, 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester), Phenethyl-1 (propyne-2 yl)-4 propionoxy-4 piperidine, Phenethyl-1 (propyne-2 yl)-4 propionoxy-4 piperidine [French]
| Molecular Formula | C23H29NO6 |
|---|---|
| Molecular Weight | 415.20 g/mol |
| LogP | 2.752 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.1995 |
| Heavy Atoms | 30 |
| Complexity | 741.6481 |
Chemical Identifiers
| CAS Number | 3733-88-8 |
|---|---|
| SMILES | CCC(=O)OC1(CCN(CC1)CCC2=CC=CC=C2)CC#C.C(=C/C(=O)O)\C(=O)O |
Product Overview
4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester) (CAS 3733-88-8), with molecular formula C23H29NO6 and molecular weight 415.20 g/mol. IUPAC: (E)-but-2-enedioic acid;[1-(2-phenylethyl)-4-prop-2-ynylpiperidin-4-yl] propanoate.
Chemical Property Profile of 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester)
Property Insights of 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester)
The XLogP value of 2.752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester). The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester). Following Lipinski's Rule of Five, 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester) has 2 hydrogen bond donor(s) and 5 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 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester)?
The CAS number of 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester) is 3733-88-8.
What is the molecular formula of 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester)?
The molecular formula of 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester) is C23H29NO6.
What is the molecular weight of 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester)?
The molecular weight of 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester) is 415.20 g/mol.
Where can I buy 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester)?
You can request a quote for 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinol, 1-phenethyl-4-(2-propynyl)-, propionate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.