Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)-
TL;DR: Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)- (CAS 64046-89-5) is a chemical compound with molecular formula C15H13ClN2O4S and molecular weight 352.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-N-[4-(2-chloroethylsulfanyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
Also Known As: USAF PD-80, 4'-(2-Chloroethylthio)-5-nitro-2-furanacrylanilide, ACRYLANILIDE, 4'-(2-CHLOROETHYLTHIO)-3-(5-NITRO-2-FURYL)-, 2-Butenamide, N-[4-[(2-chloroethyl)thio]phenyl]-4-(5-nitro-2-furanyl)-, (Z)-N-[4-(2-chloroethylsulfanyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
| Molecular Formula | C15H13ClN2O4S |
|---|---|
| Molecular Weight | 352.03 g/mol |
| LogP | 4.1706 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.02844 |
| Heavy Atoms | 23 |
| Complexity | 712.5219 |
Chemical Identifiers
| CAS Number | 64046-89-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)/C=C\C2=CC=C(O2)[N+](=O)[O-])SCCCl |
Product Overview
Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)- (CAS 64046-89-5), with molecular formula C15H13ClN2O4S and molecular weight 352.03 g/mol. IUPAC: (Z)-N-[4-(2-chloroethylsulfanyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide.
Chemical Property Profile of Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)-
Property Insights of Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)-
The XLogP value of 4.1706 indicates that Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)-. Following Lipinski's Rule of Five, Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)- has 1 hydrogen bond donor(s) and 5 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 Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)-?
The CAS number of Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)- is 64046-89-5.
What is the molecular formula of Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)-?
The molecular formula of Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)- is C15H13ClN2O4S.
What is the molecular weight of Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)-?
The molecular weight of Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)- is 352.03 g/mol.
Where can I buy Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)-?
You can request a quote for Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.