Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate
TL;DR: Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate (CAS 370-35-4) is a chemical compound with molecular formula C15H16F3NO4 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[3-(trifluoromethyl)anilino]methylidene]propanedioate
Also Known As: diethyl[ methylene]malonate, Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate, diethyl 2-[[3-(trifluoromethyl)anilino]methylidene]propanedioate, diethyl((, A,
| Molecular Formula | C15H16F3NO4 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 331.10315 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 370-35-4 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=CC(=C1)C(F)(F)F)C(=O)OCC |
| InChIKey | RFRRNORICIZXCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate (CAS 370-35-4), with molecular formula C15H16F3NO4 and molecular weight 331.10 g/mol. IUPAC: diethyl 2-[[3-(trifluoromethyl)anilino]methylidene]propanedioate.
Chemical Property Profile of Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate
Property Insights of Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate
The XLogP value of 4.1 indicates that Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate. Following Lipinski's Rule of Five, Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate has 1 hydrogen bond donor(s) and 8 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 ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate?
The CAS number of Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate is 370-35-4.
What is the molecular formula of Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate?
The molecular formula of Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate is C15H16F3NO4.
What is the molecular weight of Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate?
The molecular weight of Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate is 331.10 g/mol.
Where can I buy Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate?
You can request a quote for Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.