3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate
TL;DR: 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate (CAS 64050-37-9) is a chemical compound with molecular formula C21H33NO3 and molecular weight 347.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpiperidin-1-yl)propyl 4-pentoxybenzoate
Also Known As: 3-(2'-Methylpiperidino)propyl p-pentoxybenzoate, 3-(2-methylpiperidin-1-yl)propyl 4-pentoxybenzoate, 1-Piperidinebutanol,2-methyl-,1-benzoate, 3-(2-Methylpiperidino)propyl=p-pentoxybenzoate, 3-(2-METHYLPIPERIDIN-1-YL)PROPYL 4-(PENTYLOXY)BENZOATE
| Molecular Formula | C21H33NO3 |
|---|---|
| Molecular Weight | 347.25 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 347.24603 |
| Heavy Atoms | 25 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 64050-37-9 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C(=O)OCCCN2CCCCC2C |
| InChIKey | LUEYGEDBAGAETN-UHFFFAOYSA-N |
Product Overview
3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate (CAS 64050-37-9), with molecular formula C21H33NO3 and molecular weight 347.25 g/mol. IUPAC: 3-(2-methylpiperidin-1-yl)propyl 4-pentoxybenzoate.
Chemical Property Profile of 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate
Property Insights of 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate
The XLogP value of 5.2 indicates that 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate?
The CAS number of 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate is 64050-37-9.
What is the molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate?
The molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate is C21H33NO3.
What is the molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate?
The molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate is 347.25 g/mol.
Where can I buy 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate?
You can request a quote for 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.