![Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo- structure](/static/products/1109/110964-35-7.webp)
Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo-
TL;DR: Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo- (CAS 110964-35-7) is a chemical compound with molecular formula C14H13ClN2O4 and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo-, 2-cyano-4,4-dimethyl-1-hydroxy-3-oxo-(2-nitro-4-chlorophenyl)-1-pentene, 2-[(4-Chloro-2-nitrophenyl)(hydroxy)methylidene]-4,4-dimethyl-3-oxopentanenitrile, 2-cyano-4,4-dimethyl-1-hydroxy-3-oxo-1-(2-nitro-4-chlorophenyl)-1-pentene
| Molecular Formula | C14H13ClN2O4 |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.0564 |
| Heavy Atoms | 21 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 110964-35-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=C(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])O)C#N |
| InChIKey | VURHSZKCSQPMBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo- (CAS 110964-35-7), with molecular formula C14H13ClN2O4 and molecular weight 308.06 g/mol. IUPAC: 2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo-
Property Insights of Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo-
The XLogP value of 3.8 indicates that Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo-. Following Lipinski's Rule of Five, Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo- 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 Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo-?
The CAS number of Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo- is 110964-35-7.
What is the molecular formula of Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo-?
The molecular formula of Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo- is C14H13ClN2O4.
What is the molecular weight of Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo-?
The molecular weight of Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo- is 308.06 g/mol.
Where can I buy Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo-?
You can request a quote for Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.