3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester
TL;DR: 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester (CAS 92956-67-7) is a chemical compound with molecular formula C14H23NO3 and molecular weight 253.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 2-hydroxy-2-propan-2-ylpent-3-ynoate
Also Known As: 1-Methyl-4-piperidyl isopropyl(1-propynyl)glycolate, NCI60_022745, 2-Hydroxy-2-isopropyl-3-pentynoic acid 1-methyl-4-piperidyl ester, 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester, 1-Methyl-4-piperidinyl 2-hydroxy-2-isopropyl-3-pentynoate
| Molecular Formula | C14H23NO3 |
|---|---|
| Molecular Weight | 253.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.1678 |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 92956-67-7 |
|---|---|
| SMILES | CC#CC(C(C)C)(C(=O)OC1CCN(CC1)C)O |
| InChIKey | DKHYPPULAXLVIE-UHFFFAOYSA-N |
Product Overview
3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester (CAS 92956-67-7), with molecular formula C14H23NO3 and molecular weight 253.17 g/mol. IUPAC: (1-methylpiperidin-4-yl) 2-hydroxy-2-propan-2-ylpent-3-ynoate.
Chemical Property Profile of 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester
Property Insights of 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 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 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester?
The CAS number of 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester is 92956-67-7.
What is the molecular formula of 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester?
The molecular formula of 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester is C14H23NO3.
What is the molecular weight of 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester?
The molecular weight of 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester is 253.17 g/mol.
Where can I buy 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester?
You can request a quote for 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 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 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.