![[2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate structure](/static/products/1362/136203-38-8.webp)
[2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate
TL;DR: [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate (CAS 136203-38-8) 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.
[2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate
Also Known As: 3-acetoxy-2-(2,2-dicyanovinyl)indole, [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate, 2-(2,2-dicyanovinyl)-1H-indol-3-yl acetate, BIM-0042656.P001, 2-(2,2-dicyanoethenyl)-1H-indol-3-yl acetate
| Molecular Formula | C14H9N3O2 |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.06947 |
| Heavy Atoms | 19 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 136203-38-8 |
|---|---|
| SMILES | CC(=O)OC1=C(NC2=CC=CC=C21)C=C(C#N)C#N |
| InChIKey | SPVLGQNEAXYOPZ-UHFFFAOYSA-N |
Product Overview
[2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate (CAS 136203-38-8), with molecular formula C14H9N3O2 and molecular weight 251.07 g/mol. IUPAC: [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate.
Chemical Property Profile of [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate
Property Insights of [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate. Following Lipinski's Rule of Five, [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] 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 [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate?
The CAS number of [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate is 136203-38-8.
What is the molecular formula of [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate?
The molecular formula of [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate is C14H9N3O2.
What is the molecular weight of [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate?
The molecular weight of [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate is 251.07 g/mol.
Where can I buy [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate?
You can request a quote for [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.