![2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile structure](/static/products/1024/1024246-39-6.webp)
2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile
TL;DR: 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile (CAS 1024246-39-6) is a chemical compound with molecular formula C10H5ClN4O2 and molecular weight 248.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloro-2-nitroanilino)methylidene]propanedinitrile
Also Known As: 2-{[(4-chloro-2-nitrophenyl)amino]methylidene}propanedinitrile, 2-[(4-chloro-2-nitroanilino)methylene]malononitrile, 2-[(4-chloro-2-nitroanilino)methylidene]propanedinitrile, 2-[(4-chloro-2-nitro-anilino)methylene]propanedinitrile, (((4-CHLORO-2-NITROPHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE
| Molecular Formula | C10H5ClN4O2 |
|---|---|
| Molecular Weight | 248.01 g/mol |
| LogP | 2.59116 |
| Topological Polar Surface Area | 102.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.0101 |
| Heavy Atoms | 17 |
| Complexity | 552.6491 |
Chemical Identifiers
| CAS Number | 1024246-39-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC=C(C#N)C#N |
Product Overview
2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile (CAS 1024246-39-6), with molecular formula C10H5ClN4O2 and molecular weight 248.01 g/mol. IUPAC: 2-[(4-chloro-2-nitroanilino)methylidene]propanedinitrile.
Chemical Property Profile of 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile
Property Insights of 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile
The XLogP value of 2.59116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile. The TPSA of 102.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile. Following Lipinski's Rule of Five, 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile has 1 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-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile?
The CAS number of 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile is 1024246-39-6.
What is the molecular formula of 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile?
The molecular formula of 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile is C10H5ClN4O2.
What is the molecular weight of 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile?
The molecular weight of 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile is 248.01 g/mol.
Where can I buy 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile?
You can request a quote for 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.