Benzyl 4-isocyanatopiperidine-1-carboxylate
TL;DR: Benzyl 4-isocyanatopiperidine-1-carboxylate (CAS 220394-91-2) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-isocyanatopiperidine-1-carboxylate
Also Known As: benzyl 4-isocyanatopiperidine-1-carboxylate, BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE, 1-Cbz-4-isocyanatopiperidine, 2-chloropyridine-3-sulfonyl Chloride, benzyl-4-isocyanatopiperidinecarboxylate
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 2.1234 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 460.83923 |
Chemical Identifiers
| CAS Number | 220394-91-2 |
|---|---|
| SMILES | C1CN(CCC1N=C=O)C(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyl 4-isocyanatopiperidine-1-carboxylate (CAS 220394-91-2), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: benzyl 4-isocyanatopiperidine-1-carboxylate.
Chemical Property Profile of Benzyl 4-isocyanatopiperidine-1-carboxylate
Property Insights of Benzyl 4-isocyanatopiperidine-1-carboxylate
The XLogP value of 2.1234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 4-isocyanatopiperidine-1-carboxylate. With a topological polar surface area (TPSA) of 58.97 Ų, Benzyl 4-isocyanatopiperidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 4-isocyanatopiperidine-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 Benzyl 4-isocyanatopiperidine-1-carboxylate?
The CAS number of Benzyl 4-isocyanatopiperidine-1-carboxylate is 220394-91-2.
What is the molecular formula of Benzyl 4-isocyanatopiperidine-1-carboxylate?
The molecular formula of Benzyl 4-isocyanatopiperidine-1-carboxylate is C14H16N2O3.
What is the molecular weight of Benzyl 4-isocyanatopiperidine-1-carboxylate?
The molecular weight of Benzyl 4-isocyanatopiperidine-1-carboxylate is 260.12 g/mol.
Where can I buy Benzyl 4-isocyanatopiperidine-1-carboxylate?
You can request a quote for Benzyl 4-isocyanatopiperidine-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-isocyanatopiperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-isocyanatopiperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.