diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate)
TL;DR: diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate) (CAS 86098-53-5) is a chemical compound with molecular formula C27H24N4O4 and molecular weight 468.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(cyanomethyl)-5-[[3-(cyanomethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methyl]-1H-indole-2-carboxylate
Also Known As: diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate), diethyl 5,5'-methanediylbis[3-(cyanomethyl)-1H-indole-2-carboxylate], ethyl 3-(cyanomethyl)-5-[[3-(cyanomethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methyl]-1H-indole-2-carboxylate
| Molecular Formula | C27H24N4O4 |
|---|---|
| Molecular Weight | 468.18 g/mol |
| LogP | 4.72556 |
| Topological Polar Surface Area | 131.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.17975 |
| Heavy Atoms | 35 |
| Complexity | 1400.229 |
Chemical Identifiers
| CAS Number | 86098-53-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CC3=CC4=C(C=C3)NC(=C4CC#N)C(=O)OCC)CC#N |
Product Overview
diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate) (CAS 86098-53-5), with molecular formula C27H24N4O4 and molecular weight 468.18 g/mol. IUPAC: ethyl 3-(cyanomethyl)-5-[[3-(cyanomethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methyl]-1H-indole-2-carboxylate.
Chemical Property Profile of diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate)
Property Insights of diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate)
The XLogP value of 4.72556 indicates that diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.76 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate). Following Lipinski's Rule of Five, diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate) 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 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate)?
The CAS number of diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate) is 86098-53-5.
What is the molecular formula of diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate)?
The molecular formula of diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate) is C27H24N4O4.
What is the molecular weight of diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate)?
The molecular weight of diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate) is 468.18 g/mol.
Where can I buy diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate)?
You can request a quote for diethyl 5,5'-methylenebis(3-(cyanomethyl)-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 diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate)?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5,5'-methylenebis(3-(cyanomethyl)-1H-indole-2-carboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.