![Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate structure](/static/products/2013/20133-75-9.webp)
Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate
TL;DR: Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate (CAS 20133-75-9) is a chemical compound with molecular formula C18H21N3O7 and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[(7-nitro-1H-indol-3-yl)methyl]propanedioate
Also Known As: diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate, diethyl 2-acetamido-2-[(7-nitro-1H-indol-3-yl)methyl]propanedioate, diethyl 2-acetamido-2-[(7-nitro-1H-indol-3-yl)methyl]propane, Diethyl acetamido[(7-nitro-1H-indol-3-yl)methyl]propanedioate, p-[(5-cyano-2,6-dihydroxy-4-methyl-3-pyridyl)azo]benzenesulphonamide
| Molecular Formula | C18H21N3O7 |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 391.13794 |
| Heavy Atoms | 28 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 20133-75-9 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CNC2=C1C=CC=C2[N+](=O)[O-])(C(=O)OCC)NC(=O)C |
| InChIKey | GAHBNECEKSOZQD-UHFFFAOYSA-N |
Product Overview
Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate (CAS 20133-75-9), with molecular formula C18H21N3O7 and molecular weight 391.14 g/mol. IUPAC: diethyl 2-acetamido-2-[(7-nitro-1H-indol-3-yl)methyl]propanedioate.
Chemical Property Profile of Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate
Property Insights of Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate. The TPSA of 143.0 Ų indicates high polarity, suggesting Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate has 2 hydrogen bond donor(s) and 7 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(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate?
The CAS number of Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate is 20133-75-9.
What is the molecular formula of Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate?
The molecular formula of Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate is C18H21N3O7.
What is the molecular weight of Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate?
The molecular weight of Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate is 391.14 g/mol.
Where can I buy Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate?
You can request a quote for Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(acetylamino)[(7-nitro-1h-indol-3-yl)methyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.