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Diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate
TL;DR: Diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate (CAS 10557-67-2) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2-methyl-1H-indol-3-yl)methyl]propanedioate
Also Known As: diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate, BAS 02140955, diethyl 2-[(2-methyl-1H-indol-3-yl)methyl]propanedioate, Diethyl 2-((2-methyl-1H-indol-3-yl)methyl)malonate, diethyl [(2-methyl-1H-indol-3-yl)methyl]malonate
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 10557-67-2 |
|---|---|
| SMILES | CCOC(=O)C(CC1=C(NC2=CC=CC=C21)C)C(=O)OCC |
| InChIKey | SDGHKFATACOZPG-UHFFFAOYSA-N |
Product Overview
Diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate (CAS 10557-67-2), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: diethyl 2-[(2-methyl-1H-indol-3-yl)methyl]propanedioate.
Chemical Property Profile of Diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate
Property Insights of Diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate
The XLogP value of 3.4 indicates that Diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate. Following Lipinski's Rule of Five, Diethyl[(2-methyl-1h-indol-3-yl)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-methyl-1h-indol-3-yl)methyl]malonate?
The CAS number of Diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate is 10557-67-2.
What is the molecular formula of Diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate?
The molecular formula of Diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate is C17H21NO4.
What is the molecular weight of Diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate?
The molecular weight of Diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate is 303.15 g/mol.
Where can I buy Diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate?
You can request a quote for Diethyl[(2-methyl-1h-indol-3-yl)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-methyl-1h-indol-3-yl)methyl]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl[(2-methyl-1h-indol-3-yl)methyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.