![diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate structure](/static/products/866/866157-75-7.png)
diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate
TL;DR: diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate (CAS 866157-75-7) is a chemical compound with molecular formula C17H20N4O6 and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-nitro-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanedioate
Also Known As: diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate, diethyl 2-[2-nitro-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanedioate, 1,3-diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}propanedioate, 1,3-diethyl2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}propanedioate
| Molecular Formula | C17H20N4O6 |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 1.37 |
| Topological Polar Surface Area | 126.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 376.13828 |
| Heavy Atoms | 27 |
| Complexity | 757.23114 |
Chemical Identifiers
| CAS Number | 866157-75-7 |
|---|---|
| SMILES | CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=C(C=C1)N2C=NC=N2)C(=O)OCC |
Product Overview
diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate (CAS 866157-75-7), with molecular formula C17H20N4O6 and molecular weight 376.14 g/mol. IUPAC: diethyl 2-[2-nitro-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanedioate.
Chemical Property Profile of diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate
Property Insights of diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate
The XLogP value of 1.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate. The TPSA of 126.45 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate. Following Lipinski's Rule of Five, diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate has 0 hydrogen bond donor(s) and 8 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-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate?
The CAS number of diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate is 866157-75-7.
What is the molecular formula of diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate?
The molecular formula of diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate is C17H20N4O6.
What is the molecular weight of diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate?
The molecular weight of diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate is 376.14 g/mol.
Where can I buy diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate?
You can request a quote for diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}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-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.