![diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate structure](/static/products/1474/147471-14-5.webp)
diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate
TL;DR: diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate (CAS 147471-14-5) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-imidazol-1-ylphenyl)methylidene]propanedioate
Also Known As: diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate, Diethyl 2-[(4-imidazol-1-ylphenyl)methylidene]propanedioate, 1,3-diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylidene}propanedioate, diethyl 2-([4-(1h-imidazol-1-yl)phenyl]methylene)malonate, diethyl 2-[(4-imidazol-1-ylphenyl)methylene]propanedioate
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 2.3819 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 667.89325 |
Chemical Identifiers
| CAS Number | 147471-14-5 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)N2C=CN=C2)C(=O)OCC |
Product Overview
diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate (CAS 147471-14-5), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: diethyl 2-[(4-imidazol-1-ylphenyl)methylidene]propanedioate.
Chemical Property Profile of diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate
Property Insights of diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate
The XLogP value of 2.3819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate. Following Lipinski's Rule of Five, diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate has 0 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-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate?
The CAS number of diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate is 147471-14-5.
What is the molecular formula of diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate?
The molecular formula of diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate is C17H18N2O4.
What is the molecular weight of diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate?
The molecular weight of diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate is 314.13 g/mol.
Where can I buy diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate?
You can request a quote for diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}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-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylene}malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.