3-Nonynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester
TL;DR: 3-Nonynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester (CAS 92956-54-2) is a chemical compound with molecular formula C21H29NO3 and molecular weight 343.21 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-phenylnon-3-ynoate
Also Known As: 1-Methyl-4-piperidyl phenyl(1-heptynyl)glycolate, 3-NONYNOIC ACID, 2-HYDROXY-2-PHENYL-, 1-METHYL-4-PIPERIDYL ESTER, 2-Hydroxy-2-phenyl-3-nonynoic acid 1-methyl-4-piperidyl ester, (1-methylpiperidin-4-yl) 2-hydroxy-2-phenylnon-3-ynoate, 1-methylpiperidin-4-yl 2-hydroxy-2-phenylnon-3-ynoate
| Molecular Formula | C21H29NO3 |
|---|---|
| Molecular Weight | 343.21 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.21475 |
| Heavy Atoms | 25 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 92956-54-2 |
|---|---|
| SMILES | CCCCCC#CC(C1=CC=CC=C1)(C(=O)OC2CCN(CC2)C)O |
| InChIKey | HVEHNJGVGBWQOO-UHFFFAOYSA-N |
Product Overview
3-Nonynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester (CAS 92956-54-2), with molecular formula C21H29NO3 and molecular weight 343.21 g/mol. IUPAC: (1-methylpiperidin-4-yl) 2-hydroxy-2-phenylnon-3-ynoate.
Chemical Property Profile of 3-Nonynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester
Property Insights of 3-Nonynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester
The XLogP value of 4.4 indicates that 3-Nonynoic 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-Nonynoic 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-Nonynoic 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-Nonynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester?
The CAS number of 3-Nonynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester is 92956-54-2.
What is the molecular formula of 3-Nonynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester?
The molecular formula of 3-Nonynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester is C21H29NO3.
What is the molecular weight of 3-Nonynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester?
The molecular weight of 3-Nonynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester is 343.21 g/mol.
Where can I buy 3-Nonynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester?
You can request a quote for 3-Nonynoic 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-Nonynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Nonynoic acid, 2-hydroxy-2-phenyl-, 1-methyl-4-piperidyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.