1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate
TL;DR: 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate (CAS 5379-97-5) is a chemical compound with molecular formula C18H22N2O5 and molecular weight 346.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-(1H-indol-3-ylmethyl)propanedioate
Also Known As: diethyl acetamido(1h-indol-3-ylmethyl)malonate, Propanedioic acid, (acetylamino)(1H-indol-3-ylmethyl)-, diethyl ester, 4-22-00-06882 (Beilstein Handbook Reference), Diethyl (acetylamino)(1H-indol-3-ylmethyl)propanedioate, N-acetyl-alpha,alpha-di(ethoxycarbonyl)tryptamine
| Molecular Formula | C18H22N2O5 |
|---|---|
| Molecular Weight | 346.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 97.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 346.15286 |
| Heavy Atoms | 25 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 5379-97-5 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CNC2=CC=CC=C21)(C(=O)OCC)NC(=O)C |
| InChIKey | MTHSUWOVPABBJP-UHFFFAOYSA-N |
Product Overview
1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate (CAS 5379-97-5), with molecular formula C18H22N2O5 and molecular weight 346.15 g/mol. IUPAC: diethyl 2-acetamido-2-(1H-indol-3-ylmethyl)propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate
Property Insights of 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate has 2 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 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate?
The CAS number of 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate is 5379-97-5.
What is the molecular formula of 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate?
The molecular formula of 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate is C18H22N2O5.
What is the molecular weight of 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate?
The molecular weight of 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate is 346.15 g/mol.
Where can I buy 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate?
You can request a quote for 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.