Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate
TL;DR: Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate (CAS 103740-52-9) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2E)-2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate
Also Known As: tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate, tert-butyl (2E)-2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate, AQ-776/42801265, tert-butyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate, tert-butyl (2E)-cyano(1-methyl-2-pyrrolidinylidene)ethanoate
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 1.83138 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 358.1955 |
Chemical Identifiers
| CAS Number | 103740-52-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)/C(=C/1\CCCN1C)/C#N |
Product Overview
Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate (CAS 103740-52-9), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: tert-butyl (2E)-2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate.
Chemical Property Profile of Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate
Property Insights of Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate
The XLogP value of 1.83138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate. With a topological polar surface area (TPSA) of 53.33 Ų, Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate 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 cyano(1-methyl-2-pyrrolidinylidene)acetate?
The CAS number of Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate is 103740-52-9.
What is the molecular formula of Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate?
The molecular formula of Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate is C12H18N2O2.
What is the molecular weight of Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate?
The molecular weight of Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate is 222.14 g/mol.
Where can I buy Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate?
You can request a quote for Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl cyano(1-methyl-2-pyrrolidinylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.