Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester
TL;DR: Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester (CAS 824431-06-3) is a chemical compound with molecular formula C26H32N6O4S2 and molecular weight 556.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-3-[4-(6-methylsulfanyl-5-nitro-1-phenyl-2,4-dihydropyrimidin-3-yl)butyl]-5-nitro-1-phenyl-2,4-dihydropyrimidine
Also Known As: Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester, 1,4-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)butane, 6-methylsulfanyl-3-[4-(6-methylsulfanyl-5-nitro-1-phenyl-2,4-dihydropyrimidin-3-yl)butyl]-5-nitro-1-phenyl-2,4-dihydropyrimidine
| Molecular Formula | C26H32N6O4S2 |
|---|---|
| Molecular Weight | 556.19 g/mol |
| LogP | 4.9436 |
| Topological Polar Surface Area | 99.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 556.1926 |
| Heavy Atoms | 38 |
| Complexity | 1101.2393 |
Chemical Identifiers
| CAS Number | 824431-06-3 |
|---|---|
| SMILES | CSC1=C(CN(CN1C2=CC=CC=C2)CCCCN3CC(=C(N(C3)C4=CC=CC=C4)SC)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester (CAS 824431-06-3), with molecular formula C26H32N6O4S2 and molecular weight 556.19 g/mol. IUPAC: 6-methylsulfanyl-3-[4-(6-methylsulfanyl-5-nitro-1-phenyl-2,4-dihydropyrimidin-3-yl)butyl]-5-nitro-1-phenyl-2,4-dihydropyrimidine.
Chemical Property Profile of Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester
Property Insights of Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester
The XLogP value of 4.9436 indicates that Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester. Following Lipinski's Rule of Five, Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester?
The CAS number of Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester is 824431-06-3.
What is the molecular formula of Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester?
The molecular formula of Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester is C26H32N6O4S2.
What is the molecular weight of Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester?
The molecular weight of Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester is 556.19 g/mol.
Where can I buy Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester?
You can request a quote for Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid,2-(2-fluoroethoxy)-5-iodo-,2-fluoroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.