![(2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile structure](/static/products/3390/339097-10-8.webp)
(2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile
TL;DR: (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile (CAS 339097-10-8) is a chemical compound with molecular formula C11H8Cl2N2O and molecular weight 254.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile
Also Known As: (2Z)-4-Chloro-2-([(4-chlorophenyl)amino]methylidene)-3-oxobutanenitrile, (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile
| Molecular Formula | C11H8Cl2N2O |
|---|---|
| Molecular Weight | 254.00 g/mol |
| LogP | 2.96728 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.00137 |
| Heavy Atoms | 16 |
| Complexity | 446.04752 |
Chemical Identifiers
| CAS Number | 339097-10-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N/C=C(\C#N)/C(=O)CCl)Cl |
Product Overview
(2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile (CAS 339097-10-8), with molecular formula C11H8Cl2N2O and molecular weight 254.00 g/mol. IUPAC: (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile.
Chemical Property Profile of (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile
Property Insights of (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile
The XLogP value of 2.96728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile. With a topological polar surface area (TPSA) of 52.89 Ų, (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile has 1 hydrogen bond donor(s) and 3 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 (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile?
The CAS number of (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile is 339097-10-8.
What is the molecular formula of (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile?
The molecular formula of (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile is C11H8Cl2N2O.
What is the molecular weight of (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile?
The molecular weight of (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile is 254.00 g/mol.
Where can I buy (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile?
You can request a quote for (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-chloro-2-[(4-chloroanilino)methylidene]-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.