3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate
TL;DR: 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate (CAS 64050-40-4) is a chemical compound with molecular formula C22H27NO3 and molecular weight 353.20 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-phenoxybenzoate
Also Known As: 3-(2-methylpiperidin-1-yl)propyl 4-phenoxybenzoate, 3-(2'-Methylpiperidino)propyl p-phenoxybenzoate, 1-Piperidinebutanol,2-methyl-,1-benzoate, 3-(2-Methylpiperidino)propyl=p-phenoxybenzoate, 3-(2-Methylpiperidin-1-yl)propyl 4-(phenoxy)benzoate
| Molecular Formula | C22H27NO3 |
|---|---|
| Molecular Weight | 353.20 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 353.1991 |
| Heavy Atoms | 26 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 64050-40-4 |
|---|---|
| SMILES | CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 |
| InChIKey | HNUAVHJUFYQQEO-UHFFFAOYSA-N |
Product Overview
3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate (CAS 64050-40-4), with molecular formula C22H27NO3 and molecular weight 353.20 g/mol. IUPAC: 3-(2-methylpiperidin-1-yl)propyl 4-phenoxybenzoate.
Chemical Property Profile of 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate
Property Insights of 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate
The XLogP value of 5.0 indicates that 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate 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-phenoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate has 0 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-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate?
The CAS number of 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate is 64050-40-4.
What is the molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate?
The molecular formula of 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate is C22H27NO3.
What is the molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate?
The molecular weight of 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate is 353.20 g/mol.
Where can I buy 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate?
You can request a quote for 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate 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-phenoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.