Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate
TL;DR: Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate (CAS 90110-97-7) is a chemical compound with molecular formula C19H24N2O5 and molecular weight 360.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[(1-methylindol-3-yl)methyl]propanedioate
Also Known As: DIETHYL 2-ACETAMIDO-2-(1-METHYLINDOL-3-YLMETHYL)MALONATE, diethyl(acetylamino)[(1-methyl-1h-indol-3-yl)methyl]propanedioate, acetylamino-(1-methyl-indol-3-ylmethyl)-malonic acid diethyl, acetylamino-(1-methyl-indol-3-ylmethyl)-malonic acid diethyl ester, Acetylamino-(1-methyl-indol-3-ylmethyl)-malonsaeure-diaethylester
| Molecular Formula | C19H24N2O5 |
|---|---|
| Molecular Weight | 360.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 360.16852 |
| Heavy Atoms | 26 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 90110-97-7 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CN(C2=CC=CC=C21)C)(C(=O)OCC)NC(=O)C |
| InChIKey | IJIOJNJNMFIAFL-UHFFFAOYSA-N |
Product Overview
Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate (CAS 90110-97-7), with molecular formula C19H24N2O5 and molecular weight 360.17 g/mol. IUPAC: diethyl 2-acetamido-2-[(1-methylindol-3-yl)methyl]propanedioate.
Chemical Property Profile of Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate
Property Insights of Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate. Following Lipinski's Rule of Five, Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate has 1 hydrogen bond donor(s) and 5 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-acetamido-2-(1-methylindol-3-ylmethyl)malonate?
The CAS number of Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate is 90110-97-7.
What is the molecular formula of Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate?
The molecular formula of Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate is C19H24N2O5.
What is the molecular weight of Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate?
The molecular weight of Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate is 360.17 g/mol.
Where can I buy Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate?
You can request a quote for Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)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-acetamido-2-(1-methylindol-3-ylmethyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-acetamido-2-(1-methylindol-3-ylmethyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.