methylene]malonate structure](/static/products/866/866153-20-0.png)
Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate
TL;DR: Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate (CAS 866153-20-0) is a chemical compound with molecular formula C21H20Cl2FNO4S and molecular weight 471.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3,4-dichlorophenyl)methylsulfanyl-(2-fluoroanilino)methylidene]propanedioate
Also Known As: diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate, diethyl 2-[(3,4-dichlorophenyl)methylsulfanyl-(2-fluoroanilino)methylidene]propanedioate, 1,3-diethyl 2-({[(3,4-dichlorophenyl)methyl]sulfanyl}[(2-fluorophenyl)amino]methylidene)propanedioate, 1,3-diethyl2-({[(3,4-dichlorophenyl)methyl]sulfanyl}[(2-fluorophenyl)amino]methylidene)propanedioate
| Molecular Formula | C21H20Cl2FNO4S |
|---|---|
| Molecular Weight | 471.05 g/mol |
| LogP | 5.8156 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 471.04742 |
| Heavy Atoms | 30 |
| Complexity | 932.35364 |
Chemical Identifiers
| CAS Number | 866153-20-0 |
|---|---|
| SMILES | CCOC(=O)C(=C(NC1=CC=CC=C1F)SCC2=CC(=C(C=C2)Cl)Cl)C(=O)OCC |
Product Overview
Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate (CAS 866153-20-0), with molecular formula C21H20Cl2FNO4S and molecular weight 471.05 g/mol. IUPAC: diethyl 2-[(3,4-dichlorophenyl)methylsulfanyl-(2-fluoroanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate
Property Insights of Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate
The XLogP value of 5.8156 indicates that Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate. Following Lipinski's Rule of Five, Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate has 1 hydrogen bond donor(s) and 6 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-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate?
The CAS number of Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate is 866153-20-0.
What is the molecular formula of Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate?
The molecular formula of Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate is C21H20Cl2FNO4S.
What is the molecular weight of Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate?
The molecular weight of Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate is 471.05 g/mol.
Where can I buy Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate?
You can request a quote for Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)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-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[[(3,4-dichlorobenzyl)sulfanyl](2-fluoroanilino)methylene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.