3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)-
TL;DR: 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)- (CAS 56072-29-8) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-1-(4-nitrophenyl)pentan-3-one
Also Known As: 1-hydroxy-1-(4-nitrophenyl)pentan-3-one, 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)-, 2-HEPTANONE,4-HYDROXY-3-METHYL, 1-(4-Nitrophenyl)-1-hydroxy-3-pentanone, 1-Hydroxy-1-(4-nitrophenyl)-3-pentanone
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 1.9974 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 385.47595 |
Chemical Identifiers
| CAS Number | 56072-29-8 |
|---|---|
| SMILES | CCC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])O |
Product Overview
3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)- (CAS 56072-29-8), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 1-hydroxy-1-(4-nitrophenyl)pentan-3-one.
Chemical Property Profile of 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)-
Property Insights of 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)-
The XLogP value of 1.9974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)-. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)- has 1 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-Pentanone, 1-hydroxy-1-(4-nitrophenyl)-?
The CAS number of 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)- is 56072-29-8.
What is the molecular formula of 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)-?
The molecular formula of 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)- is C11H13NO4.
What is the molecular weight of 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)-?
The molecular weight of 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)- is 223.08 g/mol.
Where can I buy 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)-?
You can request a quote for 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentanone, 1-hydroxy-1-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.