Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate
TL;DR: Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate (CAS 52779-57-4) is a chemical compound with molecular formula C19H20O5S and molecular weight 360.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methyl-2-[4-(thiophene-2-carbonyl)phenyl]propanedioate
Also Known As: Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate, diethyl methyl[4-(2-thienylcarbonyl)phenyl]malonate, diethyl 2-methyl-2-[p-(2-thenoyl)phenyl]malonate, diethyl 2-methyl-2-[4-(thiophene-2-carbonyl)phenyl]propanedioate, Diethyl methyl[4-(thiophene-2-carbonyl)phenyl]propanedioate
| Molecular Formula | C19H20O5S |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 360.10315 |
| Heavy Atoms | 25 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 52779-57-4 |
|---|---|
| SMILES | CCOC(=O)C(C)(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)OCC |
| InChIKey | RSUSQCKVKWHQFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate (CAS 52779-57-4), with molecular formula C19H20O5S and molecular weight 360.10 g/mol. IUPAC: diethyl 2-methyl-2-[4-(thiophene-2-carbonyl)phenyl]propanedioate.
Chemical Property Profile of Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate
Property Insights of Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate
The XLogP value of 4.3 indicates that Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate. Following Lipinski's Rule of Five, Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate has 0 hydrogen bond donor(s) and 6 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 methyl(4-(2-thienylcarbonyl)phenyl)malonate?
The CAS number of Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate is 52779-57-4.
What is the molecular formula of Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate?
The molecular formula of Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate is C19H20O5S.
What is the molecular weight of Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate?
The molecular weight of Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate is 360.10 g/mol.
Where can I buy Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate?
You can request a quote for Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl methyl(4-(2-thienylcarbonyl)phenyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.