2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
TL;DR: 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester (CAS 1052508-61-8) is a chemical compound with molecular formula C15H21ClFNO2 and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-piperidin-1-ylpropan-2-yl 2-fluorobenzoate;hydrochloride
Also Known As: 1-(1-piperidyl)propan-2-yl 2-fluorobenzoate Hydrochloride, 1-piperidin-1-ylpropan-2-yl 2-fluorobenzoate hydrochloride, 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester, 1-(PIPERIDIN-1-YL)PROPAN-2-YL 2-FLUOROBENZOATE HYDROCHLORIDE
| Molecular Formula | C15H21ClFNO2 |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 3.2787 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.12448 |
| Heavy Atoms | 20 |
| Complexity | 435.63663 |
Chemical Identifiers
| CAS Number | 1052508-61-8 |
|---|---|
| SMILES | CC(CN1CCCCC1)OC(=O)C2=CC=CC=C2F.Cl |
Product Overview
2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester (CAS 1052508-61-8), with molecular formula C15H21ClFNO2 and molecular weight 301.12 g/mol. IUPAC: 1-piperidin-1-ylpropan-2-yl 2-fluorobenzoate;hydrochloride.
Chemical Property Profile of 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
Property Insights of 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
The XLogP value of 3.2787 indicates that 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester has 0 hydrogen bond donor(s) and 3 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 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
The CAS number of 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester is 1052508-61-8.
What is the molecular formula of 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
The molecular formula of 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester is C15H21ClFNO2.
What is the molecular weight of 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
The molecular weight of 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester is 301.12 g/mol.
Where can I buy 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
You can request a quote for 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.