![Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]- structure](/static/products/3138/3138-22-5.webp)
Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]-
TL;DR: Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]- (CAS 3138-22-5) is a chemical compound with molecular formula C10H4ClN3O2 and molecular weight 233.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-5-nitrophenyl)methylidene]propanedinitrile
Also Known As: (2-chloro-5-nitrobenzylidene)malononitrile, 2-[(2-chloro-5-nitrophenyl)methylidene]propanedinitrile, BIM-0048198.P001, Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]-, 2-(2-chloro-5-nitrobenzylidene)malononitrile
| Molecular Formula | C10H4ClN3O2 |
|---|---|
| Molecular Weight | 233.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.9992 |
| Heavy Atoms | 16 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 3138-22-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C=C(C#N)C#N)Cl |
| InChIKey | GGIHYGVNLFPXSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]- (CAS 3138-22-5), with molecular formula C10H4ClN3O2 and molecular weight 233.00 g/mol. IUPAC: 2-[(2-chloro-5-nitrophenyl)methylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]-
Property Insights of Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]-. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]-. Following Lipinski's Rule of Five, Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]- has 0 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 Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]-?
The CAS number of Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]- is 3138-22-5.
What is the molecular formula of Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]-?
The molecular formula of Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]- is C10H4ClN3O2.
What is the molecular weight of Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]-?
The molecular weight of Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]- is 233.00 g/mol.
Where can I buy Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]-?
You can request a quote for Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, [(2-chloro-5-nitrophenyl)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.