Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester
TL;DR: Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester (CAS 102584-93-0) is a chemical compound with molecular formula C15H25NO3 and molecular weight 267.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 2-butan-2-yl-2-hydroxypent-3-ynoate
Also Known As: 1-Methyl-4-piperidyl sec-butyl(1-propynyl)glycolate A, 1-Methyl-4-piperidyl sec-butyl(1-propynyl)glycolate B, Pentanoic acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester, Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester, 1-methylpiperidin-4-yl 2-(butan-2-yl)-2-hydroxypent-3-ynoate
| Molecular Formula | C15H25NO3 |
|---|---|
| Molecular Weight | 267.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.18344 |
| Heavy Atoms | 19 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 102584-93-0 |
|---|---|
| SMILES | CCC(C)C(C#CC)(C(=O)OC1CCN(CC1)C)O |
| InChIKey | RCNMKPMLOOLTGJ-UHFFFAOYSA-N |
Product Overview
Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester (CAS 102584-93-0), with molecular formula C15H25NO3 and molecular weight 267.18 g/mol. IUPAC: (1-methylpiperidin-4-yl) 2-butan-2-yl-2-hydroxypent-3-ynoate.
Chemical Property Profile of Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester
Property Insights of Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester 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 Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester?
The CAS number of Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester is 102584-93-0.
What is the molecular formula of Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester?
The molecular formula of Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester is C15H25NO3.
What is the molecular weight of Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester?
The molecular weight of Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester is 267.18 g/mol.
Where can I buy Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester?
You can request a quote for Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester?
Yes, KEHONG BIO provides custom synthesis services for Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.