Ethyl 4-isothiocyanatopiperidine-1-carboxylate
TL;DR: Ethyl 4-isothiocyanatopiperidine-1-carboxylate (CAS 73733-70-7) is a chemical compound with molecular formula C9H14N2O2S and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-isothiocyanatopiperidine-1-carboxylate
Also Known As: Ethyl 4-isothiocyanatopiperidine-1-carboxylate, EINECS 277-579-3, ethyl4-isothiocyanatopiperidine-1-carboxylate, 1-Piperidinecarboxylicacid, 4-isothiocyanato-, ethyl ester, ethyl 4-isothiocyanato-1-piperidine-carboxylate
| Molecular Formula | C9H14N2O2S |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 1.7101 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.0776 |
| Heavy Atoms | 14 |
| Complexity | 243.1965 |
Chemical Identifiers
| CAS Number | 73733-70-7 |
|---|---|
| SMILES | CCOC(=O)N1CCC(CC1)N=C=S |
Product Overview
Ethyl 4-isothiocyanatopiperidine-1-carboxylate (CAS 73733-70-7), with molecular formula C9H14N2O2S and molecular weight 214.08 g/mol. IUPAC: ethyl 4-isothiocyanatopiperidine-1-carboxylate.
Chemical Property Profile of Ethyl 4-isothiocyanatopiperidine-1-carboxylate
Property Insights of Ethyl 4-isothiocyanatopiperidine-1-carboxylate
The XLogP value of 1.7101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-isothiocyanatopiperidine-1-carboxylate. With a topological polar surface area (TPSA) of 41.9 Ų, Ethyl 4-isothiocyanatopiperidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-isothiocyanatopiperidine-1-carboxylate has 0 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 Ethyl 4-isothiocyanatopiperidine-1-carboxylate?
The CAS number of Ethyl 4-isothiocyanatopiperidine-1-carboxylate is 73733-70-7.
What is the molecular formula of Ethyl 4-isothiocyanatopiperidine-1-carboxylate?
The molecular formula of Ethyl 4-isothiocyanatopiperidine-1-carboxylate is C9H14N2O2S.
What is the molecular weight of Ethyl 4-isothiocyanatopiperidine-1-carboxylate?
The molecular weight of Ethyl 4-isothiocyanatopiperidine-1-carboxylate is 214.08 g/mol.
Where can I buy Ethyl 4-isothiocyanatopiperidine-1-carboxylate?
You can request a quote for Ethyl 4-isothiocyanatopiperidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-isothiocyanatopiperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-isothiocyanatopiperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.