Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate
TL;DR: Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate (CAS 94312-40-0) is a chemical compound with molecular formula C19H21N3O5 and molecular weight 371.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-(cyanomethyl)-1H-indol-3-yl]methyl]-2-formamidopropanedioate
Also Known As: DIETHYL 2-(4-(CYANOMETHYL)-3-INDOLYLMETHYL)-2-FORMAMIDOMALONATE, Diethyl 2-((4-(cyanomethyl)-1H-indol-3-yl)methyl)-2-formamidomalonate, diethyl 2-[[4-(cyanomethyl)-1H-indol-3-yl]methyl]-2-formamidopropanedioate, Diethyl2-((4-(cyanomethyl)-1H-indol-3-yl)methyl)-2-formamidomalonate, 1,3-diethyl 2-{[4-(cyanomethyl)-1H-indol-3-yl]methyl}-2-formamidopropanedioate
| Molecular Formula | C19H21N3O5 |
|---|---|
| Molecular Weight | 371.15 g/mol |
| LogP | 1.38748 |
| Topological Polar Surface Area | 121.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 371.14813 |
| Heavy Atoms | 27 |
| Complexity | 863.0877 |
Chemical Identifiers
| CAS Number | 94312-40-0 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CNC2=CC=CC(=C21)CC#N)(C(=O)OCC)NC=O |
Product Overview
Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate (CAS 94312-40-0), with molecular formula C19H21N3O5 and molecular weight 371.15 g/mol. IUPAC: diethyl 2-[[4-(cyanomethyl)-1H-indol-3-yl]methyl]-2-formamidopropanedioate.
Chemical Property Profile of Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate
Property Insights of Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate
The XLogP value of 1.38748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate. The TPSA of 121.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate. Following Lipinski's Rule of Five, Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate has 2 hydrogen bond donor(s) and 6 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 Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate?
The CAS number of Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate is 94312-40-0.
What is the molecular formula of Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate?
The molecular formula of Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate is C19H21N3O5.
What is the molecular weight of Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate?
The molecular weight of Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate is 371.15 g/mol.
Where can I buy Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate?
You can request a quote for Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(4-(cyanomethyl)-3-indolylmethyl)-2-formamidomalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.