Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester
TL;DR: Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester (CAS 64050-29-9) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpiperidin-1-yl)butyl benzoate
Also Known As: 3-(4-methylpiperidin-1-yl)butyl benzoate, 3-Methyl-3-(4'-methylpiperidino)propyl benzoate, 3-Methyl-3-(4-methylpiperidino)propyl=benzoate, BENZOIC ACID, 3-METHYL-3-(4'-METHYLPIPERIDINO)PROPYL ESTER, 1-Piperidinepropanol, .gamma.,4-dimethyl-, benzoate (ester)
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 64050-29-9 |
|---|---|
| SMILES | CC1CCN(CC1)C(C)CCOC(=O)C2=CC=CC=C2 |
| InChIKey | LJDVATIOWGCFIY-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester (CAS 64050-29-9), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: 3-(4-methylpiperidin-1-yl)butyl benzoate.
Chemical Property Profile of Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester
Property Insights of Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester
The XLogP value of 3.9 indicates that Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl 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 Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester?
The CAS number of Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester is 64050-29-9.
What is the molecular formula of Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester?
The molecular formula of Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester is C17H25NO2.
What is the molecular weight of Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester?
The molecular weight of Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester is 275.19 g/mol.
Where can I buy Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester?
You can request a quote for Benzoic acid, 3-methyl-3-(4'-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, 3-methyl-3-(4'-methylpiperidino)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-methyl-3-(4'-methylpiperidino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.