![(2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile structure](/static/products/102/1024776-21-3.png)
(2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile
TL;DR: (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile (CAS 1024776-21-3) is a chemical compound with molecular formula C18H13N5O2S and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-amino-3-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methylideneamino]but-2-enedinitrile
Also Known As: (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile, (Z)-2-amino-3-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methylideneamino]but-2-enedinitrile, 2-amino-3-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methylideneamino]but-2-enedinitrile
| Molecular Formula | C18H13N5O2S |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 3.69078 |
| Topological Polar Surface Area | 129.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.079 |
| Heavy Atoms | 26 |
| Complexity | 982.1215 |
Chemical Identifiers
| CAS Number | 1024776-21-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=N/C(=C(/C#N)\N)/C#N |
Product Overview
(2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile (CAS 1024776-21-3), with molecular formula C18H13N5O2S and molecular weight 363.08 g/mol. IUPAC: (Z)-2-amino-3-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methylideneamino]but-2-enedinitrile.
Chemical Property Profile of (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile
Property Insights of (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile
The XLogP value of 3.69078 indicates that (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile 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 (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile. Following Lipinski's Rule of Five, (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile 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 (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile?
The CAS number of (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile is 1024776-21-3.
What is the molecular formula of (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile?
The molecular formula of (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile is C18H13N5O2S.
What is the molecular weight of (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile?
The molecular weight of (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile is 363.08 g/mol.
Where can I buy (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile?
You can request a quote for (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-amino-3-[(E)-({2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methylidene)amino]but-2-enedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.