![diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate structure](/static/products/1856/185679-93-0.webp)
diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate
TL;DR: diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate (CAS 185679-93-0) is a chemical compound with molecular formula C22H23NO4 and molecular weight 365.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[1H-indol-3-yl(phenyl)methyl]propanedioate
Also Known As: diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate, BAS 00665683, diethyl 2-((1H-indol-3-yl)(phenyl)methyl)malonate, diethyl 2-[1H-indol-3-yl(phenyl)methyl]propanedioate, diethyl [1H-indol-3-yl(phenyl)methyl]propanedioate
| Molecular Formula | C22H23NO4 |
|---|---|
| Molecular Weight | 365.16 g/mol |
| LogP | 4.0422 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.16272 |
| Heavy Atoms | 27 |
| Complexity | 898.22217 |
Chemical Identifiers
| CAS Number | 185679-93-0 |
|---|---|
| SMILES | CCOC(=O)C(C(C1=CC=CC=C1)C2=CNC3=CC=CC=C32)C(=O)OCC |
Product Overview
diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate (CAS 185679-93-0), with molecular formula C22H23NO4 and molecular weight 365.16 g/mol. IUPAC: diethyl 2-[1H-indol-3-yl(phenyl)methyl]propanedioate.
Chemical Property Profile of diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate
Property Insights of diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate
The XLogP value of 4.0422 indicates that diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate. Following Lipinski's Rule of Five, diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate 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 diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate?
The CAS number of diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate is 185679-93-0.
What is the molecular formula of diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate?
The molecular formula of diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate is C22H23NO4.
What is the molecular weight of diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate?
The molecular weight of diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate is 365.16 g/mol.
Where can I buy diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate?
You can request a quote for diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-[1H-indol-3-yl(phenyl)methyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.