methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate
TL;DR: methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate (CAS 129180-01-4) is a chemical compound with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate
Also Known As: methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate, METHYL ALPHA-CYANO-3-INDOLEACRYLATE, methyl 2-nitrilo-3-indol-3-ylprop-2-enoate, methyl 2-cyano-3-(1H-indol-3-yl)-acrylate, methyl (2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate
| Molecular Formula | C13H10N2O2 |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 65.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.07423 |
| Heavy Atoms | 17 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 129180-01-4 |
|---|---|
| SMILES | COC(=O)C(=CC1=CNC2=CC=CC=C21)C#N |
| InChIKey | JRKWEDQGUNBTEE-UHFFFAOYSA-N |
Product Overview
methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate (CAS 129180-01-4), with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol. IUPAC: methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate.
Chemical Property Profile of methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate
Property Insights of methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate. Following Lipinski's Rule of Five, methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate has 1 hydrogen bond donor(s) and 3 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 2-cyano-3-(1H-indol-3-yl)prop-2-enoate?
The CAS number of methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate is 129180-01-4.
What is the molecular formula of methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate?
The molecular formula of methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate is C13H10N2O2.
What is the molecular weight of methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate?
The molecular weight of methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate is 226.07 g/mol.
Where can I buy methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate?
You can request a quote for methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.