![Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate structure](/static/products/860/860650-17-5.png)
Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate
TL;DR: Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate (CAS 860650-17-5) is a chemical compound with molecular formula C18H17ClO5S and molecular weight 380.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedioate
Also Known As: dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate, 1,3-dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedioate, dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedioate, dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]propanedioate, 1,3-dimethyl2-[1-(3-chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedioate
| Molecular Formula | C18H17ClO5S |
|---|---|
| Molecular Weight | 380.05 g/mol |
| LogP | 3.7203 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.04852 |
| Heavy Atoms | 25 |
| Complexity | 740.58673 |
Chemical Identifiers
| CAS Number | 860650-17-5 |
|---|---|
| SMILES | COC(=O)C(C(CC(=O)C1=CC=CS1)C2=CC(=CC=C2)Cl)C(=O)OC |
Product Overview
Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate (CAS 860650-17-5), with molecular formula C18H17ClO5S and molecular weight 380.05 g/mol. IUPAC: dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedioate.
Chemical Property Profile of Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate
Property Insights of Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate
The XLogP value of 3.7203 indicates that Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate. Following Lipinski's Rule of Five, Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]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 Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate?
The CAS number of Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate is 860650-17-5.
What is the molecular formula of Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate?
The molecular formula of Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate is C18H17ClO5S.
What is the molecular weight of Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate?
The molecular weight of Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate is 380.05 g/mol.
Where can I buy Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate?
You can request a quote for Dimethyl 2-[1-(3-chlorophenyl)-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-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.