2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile
TL;DR: 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile (CAS 161034-44-2) is a chemical compound with molecular formula C12H11N5O and molecular weight 241.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-methoxyphenyl)methanimidamide
Also Known As: J1.666.870B, J1.813.121H, 3P-082, 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile, N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-methoxyphenyl)iminoformamide
| Molecular Formula | C12H11N5O |
|---|---|
| Molecular Weight | 241.10 g/mol |
| LogP | 1.35286 |
| Topological Polar Surface Area | 107.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.09636 |
| Heavy Atoms | 18 |
| Complexity | 545.31586 |
Chemical Identifiers
| CAS Number | 161034-44-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC=N/C(=C(/C#N)\N)/C#N |
Product Overview
2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile (CAS 161034-44-2), with molecular formula C12H11N5O and molecular weight 241.10 g/mol. IUPAC: N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-methoxyphenyl)methanimidamide.
Chemical Property Profile of 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile
Property Insights of 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile
The XLogP value of 1.35286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile. The TPSA of 107.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile. Following Lipinski's Rule of Five, 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile has 2 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 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile?
The CAS number of 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile is 161034-44-2.
What is the molecular formula of 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile?
The molecular formula of 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile is C12H11N5O.
What is the molecular weight of 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile?
The molecular weight of 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile is 241.10 g/mol.
Where can I buy 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile?
You can request a quote for 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-(4-methoxyanilinomethyleneamino)maleonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.