methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate
TL;DR: methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate (CAS 860611-63-8) is a chemical compound with molecular formula C14H9N3O2 and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,2-dicyanoethenyl)-1H-indole-2-carboxylate
Also Known As: methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate, methyl 3-(2,2-dicyanoethenyl)-1H-indole-2-carboxylate, 10W-0249, methyl 3-(2,2-dicyanoeth-1-en-1-yl)-1H-indole-2-carboxylate, methyl3-(2,2-dicyanoeth-1-en-1-yl)-1H-indole-2-carboxylate
| Molecular Formula | C14H9N3O2 |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 2.38506 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.06947 |
| Heavy Atoms | 19 |
| Complexity | 741.0695 |
Chemical Identifiers
| CAS Number | 860611-63-8 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2N1)C=C(C#N)C#N |
Product Overview
methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate (CAS 860611-63-8), with molecular formula C14H9N3O2 and molecular weight 251.07 g/mol. IUPAC: methyl 3-(2,2-dicyanoethenyl)-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate
Property Insights of methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate
The XLogP value of 2.38506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate 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 methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate?
The CAS number of methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate is 860611-63-8.
What is the molecular formula of methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate?
The molecular formula of methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate is C14H9N3O2.
What is the molecular weight of methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate?
The molecular weight of methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate is 251.07 g/mol.
Where can I buy methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate?
You can request a quote for methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2,2-dicyanovinyl)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.