2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile
TL;DR: 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile (CAS 1024763-94-7) is a chemical compound with molecular formula C17H10ClN5O2S and molecular weight 383.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]but-2-enedinitrile
Also Known As: 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile, 2-amino-3-[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]methyleneamino]but-2-enedinitrile, 2-amino-3-[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]methylideneamino]but-2-enedinitrile, 2-amino-3-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]but-2-enedinitrile, (2Z)-2-amino-3-[(E)-({2-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile
| Molecular Formula | C17H10ClN5O2S |
|---|---|
| Molecular Weight | 383.02 g/mol |
| LogP | 4.03576 |
| Topological Polar Surface Area | 129.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.02438 |
| Heavy Atoms | 26 |
| Complexity | 987.6933 |
Chemical Identifiers
| CAS Number | 1024763-94-7 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C=NC(=C(C#N)N)C#N)Cl |
Product Overview
2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile (CAS 1024763-94-7), with molecular formula C17H10ClN5O2S and molecular weight 383.02 g/mol. IUPAC: 2-amino-3-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]but-2-enedinitrile.
Chemical Property Profile of 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile
Property Insights of 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile
The XLogP value of 4.03576 indicates that 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile 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 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile?
The CAS number of 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile is 1024763-94-7.
What is the molecular formula of 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile?
The molecular formula of 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile is C17H10ClN5O2S.
What is the molecular weight of 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile?
The molecular weight of 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile is 383.02 g/mol.
Where can I buy 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile?
You can request a quote for 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-(1-aza-2-(2-(4-chlorophenylthio)-5-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.