1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride
TL;DR: 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride (CAS 28776-47-8) is a chemical compound with molecular formula C22H30ClNO2 and molecular weight 375.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-piperidin-1-ylpent-3-yn-2-yl 1-phenylcyclopentane-1-carboxylate;hydrochloride
Also Known As: 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride, 5-(piperidin-1-yl)pent-3-yn-2-yl 1-phenylcyclopentanecarboxylate hydrochloride(1:1), Cyclopentanecarboxylic acid, 1-phenyl-, 1-methyl-4-piperidino-2-butynyl ester, hydrochloride, 5-(Piperidin-1-yl)pent-3-yn-2-yl 1-phenylcyclopentane-1-carboxylate--hydrogen chloride (1/1), 5-piperidin-1-ylpent-3-yn-2-yl 1-phenylcyclopentane-1-carboxylate hydrochloride
| Molecular Formula | C22H30ClNO2 |
|---|---|
| Molecular Weight | 375.20 g/mol |
| LogP | 4.3412 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.1965 |
| Heavy Atoms | 26 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 28776-47-8 |
|---|---|
| SMILES | CC(C#CCN1CCCCC1)OC(=O)C2(CCCC2)C3=CC=CC=C3.Cl |
| InChIKey | KTXLQVJYSMRRKU-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride (CAS 28776-47-8), with molecular formula C22H30ClNO2 and molecular weight 375.20 g/mol. IUPAC: 5-piperidin-1-ylpent-3-yn-2-yl 1-phenylcyclopentane-1-carboxylate;hydrochloride.
Chemical Property Profile of 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride
Property Insights of 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride
The XLogP value of 4.3412 indicates that 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride 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 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride?
The CAS number of 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride is 28776-47-8.
What is the molecular formula of 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride?
The molecular formula of 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride is C22H30ClNO2.
What is the molecular weight of 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride?
The molecular weight of 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride is 375.20 g/mol.
Where can I buy 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride?
You can request a quote for 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-piperidino-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.