![3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione structure](/static/products/2919/29197-16-8.webp)
3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione
TL;DR: 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione (CAS 29197-16-8) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methylidene]pentane-2,4-dione
Also Known As: 3-[(4-nitrophenyl)methylidene]pentane-2,4-dione, 3-[(4-nitrophenyl)methylene]-2,4-pentanedione, 3-(4-nitrobenzylidene)pentane-2,4-dione, 3-(4-nitrophenyl)methylene-2,4-pentanedione, 3-(4-Nitrobenzylidene)-2,4-pentanedione
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 29197-16-8 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C |
| InChIKey | YZFGYWARVCXNKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione (CAS 29197-16-8), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: 3-[(4-nitrophenyl)methylidene]pentane-2,4-dione.
Chemical Property Profile of 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione
Property Insights of 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione. Following Lipinski's Rule of Five, 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione 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 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione?
The CAS number of 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione is 29197-16-8.
What is the molecular formula of 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione?
The molecular formula of 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione is C12H11NO4.
What is the molecular weight of 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione?
The molecular weight of 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione is 233.07 g/mol.
Where can I buy 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione?
You can request a quote for 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Nitrophenyl)methylidene]pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.