1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate
TL;DR: 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate (CAS 101564-60-7) is a chemical compound with molecular formula C16H25NO3 and molecular weight 279.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-propan-2-ylhex-5-en-3-ynoate
Also Known As: NCI60_022805, 1-Methyl-4-piperidyl isopropyl(3-methylbut-1-yn-3-enyl)glycolate, (1-methyl-4-piperidyl)-2-hydroxy-5-methyl-2-propan-2-yl-hex-5-en-3-ynoate, 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate, 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 1-methyl-4-piperidyl ester
| Molecular Formula | C16H25NO3 |
|---|---|
| Molecular Weight | 279.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.18344 |
| Heavy Atoms | 20 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 101564-60-7 |
|---|---|
| SMILES | CC(C)C(C#CC(=C)C)(C(=O)OC1CCN(CC1)C)O |
| InChIKey | CFZMIFMEOHIJET-UHFFFAOYSA-N |
Product Overview
1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate (CAS 101564-60-7), with molecular formula C16H25NO3 and molecular weight 279.18 g/mol. IUPAC: (1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-propan-2-ylhex-5-en-3-ynoate.
Chemical Property Profile of 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate
Property Insights of 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate
The XLogP value of 3.1 indicates that 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate has 1 hydrogen bond donor(s) and 4 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-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate?
The CAS number of 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate is 101564-60-7.
What is the molecular formula of 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate?
The molecular formula of 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate is C16H25NO3.
What is the molecular weight of 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate?
The molecular weight of 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate is 279.18 g/mol.
Where can I buy 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate?
You can request a quote for 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.