1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate
TL;DR: 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate (CAS 101711-20-0) is a chemical compound with molecular formula C17H18F3NO3 and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate
Also Known As: 1-Methyl-4-piperidyl phenyl(3,3,3-trifluoropropynyl)glycolate, 1-methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate, Mandelic acid, alpha-(3,3,3-trifluoro-1-propyn-1-yl)-, 1-methyl-4-piperidyl ester, (1-methylpiperidin-4-yl) 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate, MANDELIC ACID, alpha-(3,3,3-TRIFLUORO-1-PROPYN-1-YL)-, 1-METHYL-4-PIPERIDYL ESTE
| Molecular Formula | C17H18F3NO3 |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.12387 |
| Heavy Atoms | 24 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 101711-20-0 |
|---|---|
| SMILES | CN1CCC(CC1)OC(=O)C(C#CC(F)(F)F)(C2=CC=CC=C2)O |
| InChIKey | MBVOUOOXWCDBOS-UHFFFAOYSA-N |
Product Overview
1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate (CAS 101711-20-0), with molecular formula C17H18F3NO3 and molecular weight 341.12 g/mol. IUPAC: (1-methylpiperidin-4-yl) 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate.
Chemical Property Profile of 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate
Property Insights of 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate. With a topological polar surface area (TPSA) of 49.8 Ų, 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate has 1 hydrogen bond donor(s) and 7 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 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate?
The CAS number of 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate is 101711-20-0.
What is the molecular formula of 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate?
The molecular formula of 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate is C17H18F3NO3.
What is the molecular weight of 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate?
The molecular weight of 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate is 341.12 g/mol.
Where can I buy 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate?
You can request a quote for 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-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 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.