3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione
TL;DR: 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione (CAS 118724-88-2) is a chemical compound with molecular formula C13H13NO6 and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-hydroxy-4-methoxy-5-nitrophenyl)methylidene]pentane-2,4-dione
Also Known As: 3-Hmnbp, QO IA, QO-IA, 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione, 3-[(3-hydroxy-4-methoxy-5-nitrophenyl)methylidene]pentane-2,4-dione
| Molecular Formula | C13H13NO6 |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.07428 |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 118724-88-2 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC(=C(C(=C1)O)OC)[N+](=O)[O-])C(=O)C |
| InChIKey | HIEZRGPTEOHFQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione (CAS 118724-88-2), with molecular formula C13H13NO6 and molecular weight 279.07 g/mol. IUPAC: 3-[(3-hydroxy-4-methoxy-5-nitrophenyl)methylidene]pentane-2,4-dione.
Chemical Property Profile of 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione
Property Insights of 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione. Following Lipinski's Rule of Five, 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione has 1 hydrogen bond donor(s) and 6 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-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione?
The CAS number of 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione is 118724-88-2.
What is the molecular formula of 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione?
The molecular formula of 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione is C13H13NO6.
What is the molecular weight of 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione?
The molecular weight of 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione is 279.07 g/mol.
Where can I buy 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione?
You can request a quote for 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.