![2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile structure](/static/products/6827/68271-01-2.webp)
2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile
TL;DR: 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile (CAS 68271-01-2) is a chemical compound with molecular formula C11H7ClN4 and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[(4-chlorophenyl)methylideneamino]but-2-enedinitrile
Also Known As: Maybridge3_001226, 2-amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile, 2-amino-3-[(4-chlorophenyl)methylideneamino]but-2-enedinitrile, (Z)-2-amino-3-{[(E)-(4-chlorophenyl)methylidene]amino}-2-butenedinitrile, (2Z)-2-amino-3-[(E)-[(4-chlorophenyl)methylidene]amino]but-2-enedinitrile
| Molecular Formula | C11H7ClN4 |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 86.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.03592 |
| Heavy Atoms | 16 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 68271-01-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NC(=C(C#N)N)C#N)Cl |
| InChIKey | KJZDATYEDLQQIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile (CAS 68271-01-2), with molecular formula C11H7ClN4 and molecular weight 230.04 g/mol. IUPAC: 2-amino-3-[(4-chlorophenyl)methylideneamino]but-2-enedinitrile.
Chemical Property Profile of 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile
Property Insights of 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile. Following Lipinski's Rule of Five, 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile 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
Frequently Asked Questions
What is the CAS number of 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile?
The CAS number of 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile is 68271-01-2.
What is the molecular formula of 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile?
The molecular formula of 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile is C11H7ClN4.
What is the molecular weight of 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile?
The molecular weight of 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile is 230.04 g/mol.
Where can I buy 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile?
You can request a quote for 2-Amino-3-{[(4-chlorophenyl)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 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-{[(4-chlorophenyl)methylidene]amino}but-2-enedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.