tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate
TL;DR: tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate (CAS 477849-03-9) is a chemical compound with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-(2,2-dicyanoethenyl)indole-1-carboxylate
Also Known As: tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate, tert-butyl 3-(2,2-dicyanoeth-1-en-1-yl)-1H-indole-1-carboxylate, tert-butyl 3-(2,2-dicyanoethenyl)indole-1-carboxylate, 10R-0641, tert-butyl 3-(2,2-dicyanovinyl)indole-1-carboxylate
| Molecular Formula | C17H15N3O2 |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 3.85506 |
| Topological Polar Surface Area | 78.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.11642 |
| Heavy Atoms | 22 |
| Complexity | 823.3819 |
Chemical Identifiers
| CAS Number | 477849-03-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C=C(C#N)C#N |
Product Overview
tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate (CAS 477849-03-9), with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol. IUPAC: tert-butyl 3-(2,2-dicyanoethenyl)indole-1-carboxylate.
Chemical Property Profile of tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate
Property Insights of tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate
The XLogP value of 3.85506 indicates that tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.81 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate. Following Lipinski's Rule of Five, tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-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-(2,2-dicyanovinyl)-1H-indole-1-carboxylate?
The CAS number of tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate is 477849-03-9.
What is the molecular formula of tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate?
The molecular formula of tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate is C17H15N3O2.
What is the molecular weight of tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate?
The molecular weight of tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate is 293.12 g/mol.
Where can I buy tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate?
You can request a quote for tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-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-(2,2-dicyanovinyl)-1H-indole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 3-(2,2-dicyanovinyl)-1H-indole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.