Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester
TL;DR: Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester (CAS 4846-77-9) is a chemical compound with molecular formula C17H25ClN2O2 and molecular weight 324.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 4-(butylamino)-2-chlorobenzoate
Also Known As: Chloroparidocaine, N-Methyl-4-piperidyl 4-(butylamino)-2-chlorobenzoate, BENZOIC ACID, 4-(BUTYLAMINO)-2-CHLORO-, 1-METHYL-4-PIPERIDYL ESTER, 1-methylpiperidin-4-yl 4-(butylamino)-2-chlorobenzoate, (1-methylpiperidin-4-yl) 4-(butylamino)-2-chlorobenzoate
| Molecular Formula | C17H25ClN2O2 |
|---|---|
| Molecular Weight | 324.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.16046 |
| Heavy Atoms | 22 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 4846-77-9 |
|---|---|
| SMILES | CCCCNC1=CC(=C(C=C1)C(=O)OC2CCN(CC2)C)Cl |
| InChIKey | WROMRZIXHGGSBM-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester (CAS 4846-77-9), with molecular formula C17H25ClN2O2 and molecular weight 324.16 g/mol. IUPAC: (1-methylpiperidin-4-yl) 4-(butylamino)-2-chlorobenzoate.
Chemical Property Profile of Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester
Property Insights of Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester
The XLogP value of 4.2 indicates that Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester has 1 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 Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester?
The CAS number of Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester is 4846-77-9.
What is the molecular formula of Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester?
The molecular formula of Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester is C17H25ClN2O2.
What is the molecular weight of Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester?
The molecular weight of Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester is 324.16 g/mol.
Where can I buy Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester?
You can request a quote for Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl 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, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.