Dimethyl(2-chloro-6-fluorophenyl)malonate
TL;DR: Dimethyl(2-chloro-6-fluorophenyl)malonate (CAS 208046-79-1) is a chemical compound with molecular formula C11H10ClFO4 and molecular weight 260.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2-chloro-6-fluorophenyl)propanedioate
Also Known As: dimethyl(2-chloro-6-fluorophenyl)malonate, dimethyl 2-(2-chloro-6-fluorophenyl)propanedioate, Dimethyl 2-(2-chloro-6-fluoro-phenyl)propanedioate, 2-(2-chloro-6-fluoro-phenyl)-malonic acid dimethyl ester
| Molecular Formula | C11H10ClFO4 |
|---|---|
| Molecular Weight | 260.03 g/mol |
| LogP | 1.9087 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.02518 |
| Heavy Atoms | 17 |
| Complexity | 410.84763 |
Chemical Identifiers
| CAS Number | 208046-79-1 |
|---|---|
| SMILES | COC(=O)C(C1=C(C=CC=C1Cl)F)C(=O)OC |
Product Overview
Dimethyl(2-chloro-6-fluorophenyl)malonate (CAS 208046-79-1), with molecular formula C11H10ClFO4 and molecular weight 260.03 g/mol. IUPAC: dimethyl 2-(2-chloro-6-fluorophenyl)propanedioate.
Chemical Property Profile of Dimethyl(2-chloro-6-fluorophenyl)malonate
Property Insights of Dimethyl(2-chloro-6-fluorophenyl)malonate
The XLogP value of 1.9087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl(2-chloro-6-fluorophenyl)malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl(2-chloro-6-fluorophenyl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl(2-chloro-6-fluorophenyl)malonate has 0 hydrogen bond donor(s) and 4 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-chloro-6-fluorophenyl)malonate?
The CAS number of Dimethyl(2-chloro-6-fluorophenyl)malonate is 208046-79-1.
What is the molecular formula of Dimethyl(2-chloro-6-fluorophenyl)malonate?
The molecular formula of Dimethyl(2-chloro-6-fluorophenyl)malonate is C11H10ClFO4.
What is the molecular weight of Dimethyl(2-chloro-6-fluorophenyl)malonate?
The molecular weight of Dimethyl(2-chloro-6-fluorophenyl)malonate is 260.03 g/mol.
Where can I buy Dimethyl(2-chloro-6-fluorophenyl)malonate?
You can request a quote for Dimethyl(2-chloro-6-fluorophenyl)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-chloro-6-fluorophenyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl(2-chloro-6-fluorophenyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.