![1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate structure](/static/products/1474/147471-15-6.webp)
1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate
TL;DR: 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate (CAS 147471-15-6) is a chemical compound with molecular formula C18H21N3O6 and molecular weight 375.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[1-(4-imidazol-1-ylphenyl)-2-nitroethyl]propanedioate
Also Known As: 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate, Diethyl {1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl}propanedioate, Diethyl 2-[1-(4-imidazol-1-ylphenyl)-2-nitro-ethyl]propanedioate, diethyl 2-[1-(4-imidazol-1-ylphenyl)-2-nitroethyl]propanedioate
| Molecular Formula | C18H21N3O6 |
|---|---|
| Molecular Weight | 375.14 g/mol |
| LogP | 1.975 |
| Topological Polar Surface Area | 113.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 375.14304 |
| Heavy Atoms | 27 |
| Complexity | 754.9045 |
Chemical Identifiers
| CAS Number | 147471-15-6 |
|---|---|
| SMILES | CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=C(C=C1)N2C=CN=C2)C(=O)OCC |
Product Overview
1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate (CAS 147471-15-6), with molecular formula C18H21N3O6 and molecular weight 375.14 g/mol. IUPAC: diethyl 2-[1-(4-imidazol-1-ylphenyl)-2-nitroethyl]propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate
Property Insights of 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate
The XLogP value of 1.975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate. The TPSA of 113.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate has 0 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 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate?
The CAS number of 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate is 147471-15-6.
What is the molecular formula of 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate?
The molecular formula of 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate is C18H21N3O6.
What is the molecular weight of 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate?
The molecular weight of 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate is 375.14 g/mol.
Where can I buy 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate?
You can request a quote for 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]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-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.