Dimethyl 4-fluoro-2-nitrophenylmalonate
TL;DR: Dimethyl 4-fluoro-2-nitrophenylmalonate (CAS 147124-35-4) is a chemical compound with molecular formula C11H10FNO6 and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4-fluoro-2-nitrophenyl)propanedioate
Also Known As: Diethyl 2-(4-fluoro-2-nitrophenyl)malonate, dimethyl 4-fluoro-2-nitrophenylmalonate, dimethyl (4-fluoro-2-nitrophenyl)malonate, Dimethyl 2-(4-fluoro-2-nitrophenyl)-malonate, 2-(4-fluoro-2-nitro-phenyl)-malonic acid dimethyl ester
| Molecular Formula | C11H10FNO6 |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 1.1635 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.04922 |
| Heavy Atoms | 19 |
| Complexity | 513.91675 |
Chemical Identifiers
| CAS Number | 147124-35-4 |
|---|---|
| SMILES | COC(=O)C(C1=C(C=C(C=C1)F)[N+](=O)[O-])C(=O)OC |
Product Overview
Dimethyl 4-fluoro-2-nitrophenylmalonate (CAS 147124-35-4), with molecular formula C11H10FNO6 and molecular weight 271.05 g/mol. IUPAC: dimethyl 2-(4-fluoro-2-nitrophenyl)propanedioate.
Chemical Property Profile of Dimethyl 4-fluoro-2-nitrophenylmalonate
Property Insights of Dimethyl 4-fluoro-2-nitrophenylmalonate
The XLogP value of 1.1635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-fluoro-2-nitrophenylmalonate. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-fluoro-2-nitrophenylmalonate. Following Lipinski's Rule of Five, Dimethyl 4-fluoro-2-nitrophenylmalonate 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 4-fluoro-2-nitrophenylmalonate?
The CAS number of Dimethyl 4-fluoro-2-nitrophenylmalonate is 147124-35-4.
What is the molecular formula of Dimethyl 4-fluoro-2-nitrophenylmalonate?
The molecular formula of Dimethyl 4-fluoro-2-nitrophenylmalonate is C11H10FNO6.
What is the molecular weight of Dimethyl 4-fluoro-2-nitrophenylmalonate?
The molecular weight of Dimethyl 4-fluoro-2-nitrophenylmalonate is 271.05 g/mol.
Where can I buy Dimethyl 4-fluoro-2-nitrophenylmalonate?
You can request a quote for Dimethyl 4-fluoro-2-nitrophenylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-fluoro-2-nitrophenylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-fluoro-2-nitrophenylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.