3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one
TL;DR: 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one (CAS 21861-21-2) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one
Also Known As: 3-hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one, 1.1',5.1'-Trianthrimid-2.2',7.2-dicarbazol, 3-Hydroxy-2-(2-nitrophenyl)-5,5-dimethyl-2-cyclohexen-1-one, 2-Cyclohexen-1-one,3-hydroxy-5,5-dimethyl-2-(2-nitrophenyl)-, 6-Hydroxy-4,4-dimethyl-2'-nitro-4,5-dihydro[1,1'-biphenyl]-2(3H)-one
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 21861-21-2 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C2=CC=CC=C2[N+](=O)[O-])O)C |
| InChIKey | MCSKAXDFZWOEOO-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one (CAS 21861-21-2), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: 3-hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one.
Chemical Property Profile of 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one
Property Insights of 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one. Following Lipinski's Rule of Five, 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one 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-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one?
The CAS number of 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one is 21861-21-2.
What is the molecular formula of 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one?
The molecular formula of 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one is C14H15NO4.
What is the molecular weight of 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one?
The molecular weight of 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one is 261.10 g/mol.
Where can I buy 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one?
You can request a quote for 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-5,5-dimethyl-2-(2-nitrophenyl)cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.