3-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester
TL;DR: 3-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester (CAS 92956-52-0) is a chemical compound with molecular formula C20H27NO3 and molecular weight 329.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylpiperidin-1-yl) 2-hydroxy-2-phenyloct-3-ynoate
Also Known As: oct-3-ynoic acid, 3-OCTYNOIC ACID, 1-Methyl-4-piperidyl phenyl(1-hexynyl)glycolate, 3-OCTYNOIC ACID, 2-HYDROXY-2-PHENYL-, 1-METHYL-4-PIPERIDYL ESTER, alpha-(3-Methyl-1-hexynyl)mandelic acid 1-methyl-4-piperidyl ester
| Molecular Formula | C20H27NO3 |
|---|---|
| Molecular Weight | 329.20 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.1991 |
| Heavy Atoms | 24 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 92956-52-0 |
|---|---|
| SMILES | CCCCC#CC(C1=CC=CC=C1)(C(=O)ON2CCC(CC2)C)O |
| InChIKey | VYJJFRWIBSDKFH-UHFFFAOYSA-N |
Product Overview
3-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester (CAS 92956-52-0), with molecular formula C20H27NO3 and molecular weight 329.20 g/mol. IUPAC: (4-methylpiperidin-1-yl) 2-hydroxy-2-phenyloct-3-ynoate.
Chemical Property Profile of 3-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester
Property Insights of 3-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester
The XLogP value of 4.8 indicates that 3-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Octynoic acid, 2-hydroxy-2-phenyl-, 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-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester?
The CAS number of 3-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester is 92956-52-0.
What is the molecular formula of 3-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester?
The molecular formula of 3-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester is C20H27NO3.
What is the molecular weight of 3-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester?
The molecular weight of 3-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester is 329.20 g/mol.
Where can I buy 3-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester?
You can request a quote for 3-Octynoic acid, 2-hydroxy-2-phenyl-, 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-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Octynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.