![4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile structure](/static/products/3391/339106-38-6.webp)
4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile
TL;DR: 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile (CAS 339106-38-6) is a chemical compound with molecular formula C11H9ClN2O and molecular weight 220.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(anilinomethylidene)-4-chloro-3-oxobutanenitrile
Also Known As: 3-anilino-2-(2-chloroacetyl)acrylonitrile, 2-(anilinomethylidene)-4-chloro-3-oxobutanenitrile, 4-chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile
| Molecular Formula | C11H9ClN2O |
|---|---|
| Molecular Weight | 220.04 g/mol |
| LogP | 2.31388 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.04034 |
| Heavy Atoms | 15 |
| Complexity | 406.34613 |
Chemical Identifiers
| CAS Number | 339106-38-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=C(C#N)C(=O)CCl |
Product Overview
4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile (CAS 339106-38-6), with molecular formula C11H9ClN2O and molecular weight 220.04 g/mol. IUPAC: 2-(anilinomethylidene)-4-chloro-3-oxobutanenitrile.
Chemical Property Profile of 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile
Property Insights of 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile
The XLogP value of 2.31388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile. With a topological polar surface area (TPSA) of 52.89 Ų, 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile 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 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile?
The CAS number of 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile is 339106-38-6.
What is the molecular formula of 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile?
The molecular formula of 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile is C11H9ClN2O.
What is the molecular weight of 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile?
The molecular weight of 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile is 220.04 g/mol.
Where can I buy 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile?
You can request a quote for 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-oxo-2-[(phenylamino)methylidene]butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.