diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate
TL;DR: diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate (CAS 85741-74-8) is a chemical compound with molecular formula C14H15F2NO5 and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3,4-difluoro-2-hydroxyanilino)methylidene]propanedioate
Also Known As: BIM-0048194.P001, J1.129.282H, diethyl {[(3,4-difluoro-2-hydroxyphenyl)amino]methylene}malonate, diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate, diethyl 2-[(3,4-difluoro-2-hydroxyanilino)methylidene]propanedioate
| Molecular Formula | C14H15F2NO5 |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 2.0924 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.09183 |
| Heavy Atoms | 22 |
| Complexity | 581.1412 |
Chemical Identifiers
| CAS Number | 85741-74-8 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=C(C(=C(C=C1)F)F)O)C(=O)OCC |
Product Overview
diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate (CAS 85741-74-8), with molecular formula C14H15F2NO5 and molecular weight 315.09 g/mol. IUPAC: diethyl 2-[(3,4-difluoro-2-hydroxyanilino)methylidene]propanedioate.
Chemical Property Profile of diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate
Property Insights of diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate
The XLogP value of 2.0924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate. Following Lipinski's Rule of Five, diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate has 2 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 N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate?
The CAS number of diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate is 85741-74-8.
What is the molecular formula of diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate?
The molecular formula of diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate is C14H15F2NO5.
What is the molecular weight of diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate?
The molecular weight of diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate is 315.09 g/mol.
Where can I buy diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate?
You can request a quote for diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl N-(3,4-difluoro-2-hydroxyphenyl)aminomethylenemalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.