2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone
TL;DR: 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone (CAS 71764-07-3) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[hydroxy-(4-nitrophenyl)methyl]cyclohexan-1-one
Also Known As: 2-(hydroxy(4-nitrophenyl)methyl)cyclohexanone, 2-[hydroxy-(4-nitrophenyl)methyl]cyclohexan-1-one, 2-(4-Nitro-alpha-hydroxybenzyl)cyclohexanone, 2-(alpha-Hydroxy-4-nitrobenzyl)cyclohexanone, 2-(p-Nitro-alpha-hydroxybenzyl)cyclohexanone
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 71764-07-3 |
|---|---|
| SMILES | C1CCC(=O)C(C1)C(C2=CC=C(C=C2)[N+](=O)[O-])O |
| InChIKey | LWDGESCTOIIBJJ-UHFFFAOYSA-N |
Product Overview
2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone (CAS 71764-07-3), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: 2-[hydroxy-(4-nitrophenyl)methyl]cyclohexan-1-one.
Chemical Property Profile of 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone
Property Insights of 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone. Following Lipinski's Rule of Five, 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone 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 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone?
The CAS number of 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone is 71764-07-3.
What is the molecular formula of 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone?
The molecular formula of 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone is C13H15NO4.
What is the molecular weight of 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone?
The molecular weight of 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone is 249.10 g/mol.
Where can I buy 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone?
You can request a quote for 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxy(4-nitrophenyl)methyl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.