Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate
TL;DR: Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate (CAS 175463-32-8) is a chemical compound with molecular formula C10H14N2O3 and molecular weight 210.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-cyano-4-oxopyrrolidine-1-carboxylate
Also Known As: 1-Boc-3-cyano-4-oxopyrrolidine, tert-butyl 3-cyano-4-oxopyrrolidine-1-carboxylate, 1-Boc-3-cyano-4-pyrrolidinone, zlchem 549, 1-n-boc-3-cyanopyrrolidin-4-one
| Molecular Formula | C10H14N2O3 |
|---|---|
| Molecular Weight | 210.10 g/mol |
| LogP | 0.94598 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.10045 |
| Heavy Atoms | 15 |
| Complexity | 324.53964 |
Chemical Identifiers
| CAS Number | 175463-32-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC(C(=O)C1)C#N |
Product Overview
Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate (CAS 175463-32-8), with molecular formula C10H14N2O3 and molecular weight 210.10 g/mol. IUPAC: tert-butyl 3-cyano-4-oxopyrrolidine-1-carboxylate.
Chemical Property Profile of Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate
Property Insights of Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate
The XLogP value of 0.94598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 3-Cyano-4-oxo-pyrrolidine-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 Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate?
The CAS number of Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate is 175463-32-8.
What is the molecular formula of Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate?
The molecular formula of Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate is C10H14N2O3.
What is the molecular weight of Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate?
The molecular weight of Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate is 210.10 g/mol.
Where can I buy Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate?
You can request a quote for Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-Cyano-4-oxo-pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.