1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-
TL;DR: 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)- (CAS 125628-93-5) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dihydroxy-5-nitrophenyl)pentan-1-one
Also Known As: 1-(3,4-Dihydroxy-5-nitrophenyl)-1-pentanone, 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-, 1-(3,4-dihydroxy-5-nitrophenyl)pentan-1-one, 1-Pentanone,1-(3,4-dihydroxy-5-nitrophenyl)
Technical Specifications
| Molecular Formula | C11H13NO5 |
| Molecular Weight | 239.07938 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.07938 Da |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
| SMILES | CCCCC(=O)C1=CC(=C(C(=C1)O)O)[N+](=O)[O-] |
| InChIKey | ZPJRQVFLMJNWEB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-
Property Insights of 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-. Following Lipinski's Rule of Five, 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-?
The CAS number of 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)- is 125628-93-5.
What is the molecular formula of 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-?
The molecular formula of 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)- is C11H13NO5.
What is the molecular weight of 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-?
The molecular weight of 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)- is 239.07938 g/mol.
Where can I buy 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-?
You can request a quote for 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-?
Yes, CoreyChem provides custom synthesis services for 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.