![diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate structure](/static/products/866/866153-23-3.png)
diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate
TL;DR: diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate (CAS 866153-23-3) is a chemical compound with molecular formula C23H21F4NO5S and molecular weight 499.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2-fluoroanilino)-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanylmethylidene]propanedioate
Also Known As: diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate, diethyl 2-[(2-fluoroanilino)-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanylmethylidene]propanedioate, 1,3-diethyl 2-{[(2-fluorophenyl)amino]({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylidene}propanedioate, 1,3-diethyl2-{[(2-fluorophenyl)amino]({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylidene}propanedioate
| Molecular Formula | C23H21F4NO5S |
|---|---|
| Molecular Weight | 499.11 g/mol |
| LogP | 5.2103 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 499.10767 |
| Heavy Atoms | 34 |
| Complexity | 1047.7753 |
Chemical Identifiers
| CAS Number | 866153-23-3 |
|---|---|
| SMILES | CCOC(=O)C(=C(NC1=CC=CC=C1F)SCC(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC |
Product Overview
diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate (CAS 866153-23-3), with molecular formula C23H21F4NO5S and molecular weight 499.11 g/mol. IUPAC: diethyl 2-[(2-fluoroanilino)-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanylmethylidene]propanedioate.
Chemical Property Profile of diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate
Property Insights of diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate
The XLogP value of 5.2103 indicates that diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate. Following Lipinski's Rule of Five, diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate?
The CAS number of diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate is 866153-23-3.
What is the molecular formula of diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate?
The molecular formula of diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate is C23H21F4NO5S.
What is the molecular weight of diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate?
The molecular weight of diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate is 499.11 g/mol.
Where can I buy diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate?
You can request a quote for diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)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 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-[(2-fluoroanilino)({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)methylene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.