![Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate structure](/static/products/6851/685108-45-6.webp)
Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate
TL;DR: Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate (CAS 685108-45-6) is a chemical compound with molecular formula C19H20O6S and molecular weight 376.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedioate
Also Known As: dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate, 1,3-dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedioate, 11T-0014, dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedioate, dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]propanedioate
| Molecular Formula | C19H20O6S |
|---|---|
| Molecular Weight | 376.10 g/mol |
| LogP | 3.0755 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 376.09805 |
| Heavy Atoms | 26 |
| Complexity | 752.0964 |
Chemical Identifiers
| CAS Number | 685108-45-6 |
|---|---|
| SMILES | COC1=CC=CC=C1C(CC(=O)C2=CC=CS2)C(C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate (CAS 685108-45-6), with molecular formula C19H20O6S and molecular weight 376.10 g/mol. IUPAC: dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedioate.
Chemical Property Profile of Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate
Property Insights of Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate
The XLogP value of 3.0755 indicates that Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate. Following Lipinski's Rule of Five, Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate 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 Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate?
The CAS number of Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate is 685108-45-6.
What is the molecular formula of Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate?
The molecular formula of Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate is C19H20O6S.
What is the molecular weight of Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate?
The molecular weight of Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate is 376.10 g/mol.
Where can I buy Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate?
You can request a quote for Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.