Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate
TL;DR: Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate (CAS 2859-27-0) is a chemical compound with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2Z)-2-cyano-2-(1H-quinolin-2-ylidene)acetate
Also Known As: tert-butyl (2Z)-2-cyano-2-(1H-quinolin-2-ylidene)acetate, Tert-butyl 2-cyano-2-(1H-quinolin-2-ylidene)acetate, tert-Butyl (2Z)-cyano(quinolin-2(1H)-ylidene)acetate, TERT-BUTYL 2-CYANO-2-(1,2-DIHYDRO-2-QUINOLYLIDENE)ACETATE, tert-butyl 2-cyano-2-[(2Z)-1,2-dihydroquinolin-2-ylidene]acetate
| Molecular Formula | C16H16N2O2 |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 3.24468 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.1212 |
| Heavy Atoms | 20 |
| Complexity | 643.1761 |
Chemical Identifiers
| CAS Number | 2859-27-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)/C(=C\1/C=CC2=CC=CC=C2N1)/C#N |
Product Overview
Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate (CAS 2859-27-0), with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol. IUPAC: tert-butyl (2Z)-2-cyano-2-(1H-quinolin-2-ylidene)acetate.
Chemical Property Profile of Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate
Property Insights of Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate
The XLogP value of 3.24468 indicates that Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate. Following Lipinski's Rule of Five, Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate has 1 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 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate?
The CAS number of Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate is 2859-27-0.
What is the molecular formula of Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate?
The molecular formula of Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate is C16H16N2O2.
What is the molecular weight of Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate?
The molecular weight of Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate is 268.12 g/mol.
Where can I buy Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate?
You can request a quote for Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)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 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.