Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester
TL;DR: Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester (CAS 64050-39-1) is a chemical compound with molecular formula C24H31NO3 and molecular weight 381.23 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-(2-phenylethoxy)benzoate
Also Known As: 3-(2'-Methylpiperidino)propyl p-phenethyloxybenzoate, 3-(2-methylpiperidin-1-yl)propyl 4-phenethyloxybenzoate, 3-(2-methylpiperidin-1-yl)propyl 4-(2-phenylethoxy)benzoate, BENZOIC ACID, p-PHENETHYLOXY-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER, 3-(2-methylpiperidino)propyl 4-phenethyloxybenzoate
| Molecular Formula | C24H31NO3 |
|---|---|
| Molecular Weight | 381.23 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 381.2304 |
| Heavy Atoms | 28 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 64050-39-1 |
|---|---|
| SMILES | CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3 |
| InChIKey | QNLGJZLZHRDTBP-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester (CAS 64050-39-1), with molecular formula C24H31NO3 and molecular weight 381.23 g/mol. IUPAC: 3-(2-methylpiperidin-1-yl)propyl 4-(2-phenylethoxy)benzoate.
Chemical Property Profile of Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester
Property Insights of Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester
The XLogP value of 5.4 indicates that Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester 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 Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester?
The CAS number of Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester is 64050-39-1.
What is the molecular formula of Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester?
The molecular formula of Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester is C24H31NO3.
What is the molecular weight of Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester?
The molecular weight of Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester is 381.23 g/mol.
Where can I buy Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester?
You can request a quote for Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.