Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
TL;DR: Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate (CAS 478068-11-0) is a chemical compound with molecular formula C16H21ClN2O3 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
Also Known As: Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate, 7P-079, benzyl 4-{[(2-chloroethyl)amino]carbonyl}tetrahydro-1(2H)-pyridinecarboxylate, benzyl 4-[(2-chloroethyl)carbamoyl]piperidine-1-carboxylate, benzyl4-[(2-chloroethyl)carbamoyl]piperidine-1-carboxylate
| Molecular Formula | C16H21ClN2O3 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 2.3902 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.12408 |
| Heavy Atoms | 22 |
| Complexity | 487.4241 |
Chemical Identifiers
| CAS Number | 478068-11-0 |
|---|---|
| SMILES | C1CN(CCC1C(=O)NCCCl)C(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate (CAS 478068-11-0), with molecular formula C16H21ClN2O3 and molecular weight 324.12 g/mol. IUPAC: benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate.
Chemical Property Profile of Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
Property Insights of Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
The XLogP value of 2.3902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate. With a topological polar surface area (TPSA) of 58.64 Ų, Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate has 1 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 Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate?
The CAS number of Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate is 478068-11-0.
What is the molecular formula of Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate?
The molecular formula of Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate is C16H21ClN2O3.
What is the molecular weight of Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate?
The molecular weight of Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate is 324.12 g/mol.
Where can I buy Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate?
You can request a quote for Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.