5-(2'-甲基哌啶基)戊基苯甲酸酯
TL;DR: 5-(2'-甲基哌啶基)戊基苯甲酸酯 (CAS 64050-33-5) is a chemical compound with molecular formula C18H27NO2 and molecular weight 289.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2'-甲基哌啶基)戊基苯甲酸酯
5-(2-methylpiperidin-1-yl)pentyl benzoate
Also Known As: 5-(2'-Methylpiperidino)pentyl benzoate, 5-(2-methylpiperidin-1-yl)pentyl benzoate, 5-(2-Methylpiperidino)pentyl=benzoate, 1-Piperidinebutanol,2-methyl-,1-benzoate, BENZOIC ACID, 5-(2'-METHYLPIPERIDINO)PENTYL ESTER
| Molecular Formula | C18H27NO2 |
|---|---|
| Molecular Weight | 289.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 289.2042 |
| Heavy Atoms | 21 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 64050-33-5 |
|---|---|
| SMILES | CC1CCCCN1CCCCCOC(=O)C2=CC=CC=C2 |
| InChIKey | ONEJOFKVJCCUOT-UHFFFAOYSA-N |
Product Overview
5-(2'-甲基哌啶基)戊基苯甲酸酯 (CAS 64050-33-5), with molecular formula C18H27NO2 and molecular weight 289.20 g/mol. IUPAC: 5-(2-methylpiperidin-1-yl)pentyl benzoate.
Chemical Property Profile of 5-(2'-甲基哌啶基)戊基苯甲酸酯
Property Insights of 5-(2'-甲基哌啶基)戊基苯甲酸酯
The XLogP value of 4.2 indicates that 5-(2'-甲基哌啶基)戊基苯甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 5-(2'-甲基哌啶基)戊基苯甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2'-甲基哌啶基)戊基苯甲酸酯 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 5-(2'-甲基哌啶基)戊基苯甲酸酯?
The CAS number of 5-(2'-甲基哌啶基)戊基苯甲酸酯 is 64050-33-5.
What is the molecular formula of 5-(2'-甲基哌啶基)戊基苯甲酸酯?
The molecular formula of 5-(2'-甲基哌啶基)戊基苯甲酸酯 is C18H27NO2.
What is the molecular weight of 5-(2'-甲基哌啶基)戊基苯甲酸酯?
The molecular weight of 5-(2'-甲基哌啶基)戊基苯甲酸酯 is 289.20 g/mol.
Where can I buy 5-(2'-甲基哌啶基)戊基苯甲酸酯?
You can request a quote for 5-(2'-甲基哌啶基)戊基苯甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2'-甲基哌啶基)戊基苯甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 5-(2'-甲基哌啶基)戊基苯甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.