![Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate structure](/static/products/866/866153-24-4.png)
Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate
TL;DR: Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate (CAS 866153-24-4) is a chemical compound with molecular formula C22H22FNO5S and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2-fluoroanilino)-phenacylsulfanylmethylidene]propanedioate
Also Known As: diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate, diethyl 2-[(2-fluoroanilino)-phenacylsulfanylmethylidene]propanedioate, 1,3-diethyl 2-{[(2-fluorophenyl)amino][(2-oxo-2-phenylethyl)sulfanyl]methylidene}propanedioate, 1,3-diethyl2-{[(2-fluorophenyl)amino][(2-oxo-2-phenylethyl)sulfanyl]methylidene}propanedioate
| Molecular Formula | C22H22FNO5S |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 4.1915 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 431.12027 |
| Heavy Atoms | 30 |
| Complexity | 910.13495 |
Chemical Identifiers
| CAS Number | 866153-24-4 |
|---|---|
| SMILES | CCOC(=O)C(=C(NC1=CC=CC=C1F)SCC(=O)C2=CC=CC=C2)C(=O)OCC |
Product Overview
Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate (CAS 866153-24-4), with molecular formula C22H22FNO5S and molecular weight 431.12 g/mol. IUPAC: diethyl 2-[(2-fluoroanilino)-phenacylsulfanylmethylidene]propanedioate.
Chemical Property Profile of Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate
Property Insights of Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate
The XLogP value of 4.1915 indicates that Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)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-phenylethyl)sulfanyl]methylene}malonate. Following Lipinski's Rule of Five, Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate has 1 hydrogen bond donor(s) and 7 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 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate?
The CAS number of Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate is 866153-24-4.
What is the molecular formula of Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate?
The molecular formula of Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate is C22H22FNO5S.
What is the molecular weight of Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate?
The molecular weight of Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate is 431.12 g/mol.
Where can I buy Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate?
You can request a quote for Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)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-phenylethyl)sulfanyl]methylene}malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-{(2-fluoroanilino)[(2-oxo-2-phenylethyl)sulfanyl]methylene}malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.