![3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile structure](/static/products/1262/126210-91-1.webp)
3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile
TL;DR: 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile (CAS 126210-91-1) is a chemical compound with molecular formula C11H10ClN3O and molecular weight 235.05124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-amino-2-[(2-chlorophenyl)methylideneamino]-3-methoxyprop-2-enenitrile
Also Known As: 3-amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile, 5E-039, (E)-3-amino-2-[(2-chlorophenyl)methylideneamino]-3-methoxyprop-2-enenitrile, (2E)-3-amino-2-[(E)-[(2-chlorophenyl)methylidene]amino]-3-methoxyprop-2-enenitrile
Technical Specifications
| Molecular Formula | C11H10ClN3O |
| Molecular Weight | 235.05124 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.05124 Da |
| Heavy Atoms | 16 |
| Complexity | 342.0 |
| SMILES | CO/C(=C(\C#N)/N=CC1=CC=CC=C1Cl)/N |
| InChIKey | STRFCMIYBQXTPB-VJPMJKGWSA-N |
Chemical Property Profile of 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile
Property Insights of 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile. Following Lipinski's Rule of Five, 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile?
The CAS number of 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile is 126210-91-1.
What is the molecular formula of 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile?
The molecular formula of 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile is C11H10ClN3O.
What is the molecular weight of 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile?
The molecular weight of 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile is 235.05124 g/mol.
Where can I buy 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile?
You can request a quote for 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile?
Yes, CoreyChem provides custom synthesis services for 3-Amino-2-{[(2-chlorophenyl)methylene]amino}-3-methoxyacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.