Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate
TL;DR: Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate (CAS 198133-62-9) is a chemical compound with molecular formula C12H19ClN2O2 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-chloropropyl)-4-cyanopiperidine-1-carboxylate
Also Known As: ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate, ethyl 4-(3-chloropropyl)-4-cyanopiperidine-1-carboxylate, ethyl 4-(3-chloropropyl)4-cyano-1-piperidinecarboxylate, Ethyl 4-(3-chloropropyl)-4-cyano-piperidine-1-carboxylate
| Molecular Formula | C12H19ClN2O2 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 2.76768 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.1135 |
| Heavy Atoms | 17 |
| Complexity | 293.37097 |
Chemical Identifiers
| CAS Number | 198133-62-9 |
|---|---|
| SMILES | CCOC(=O)N1CCC(CC1)(CCCCl)C#N |
Product Overview
Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate (CAS 198133-62-9), with molecular formula C12H19ClN2O2 and molecular weight 258.11 g/mol. IUPAC: ethyl 4-(3-chloropropyl)-4-cyanopiperidine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate
Property Insights of Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate
The XLogP value of 2.76768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate. With a topological polar surface area (TPSA) of 53.33 Ų, Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate 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 Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate?
The CAS number of Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate is 198133-62-9.
What is the molecular formula of Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate?
The molecular formula of Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate is C12H19ClN2O2.
What is the molecular weight of Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate?
The molecular weight of Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate is 258.11 g/mol.
Where can I buy Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate?
You can request a quote for Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-chloropropyl)-4-cyano-1-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.