5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one)
TL;DR: 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one) (CAS 29339-45-5) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one
Also Known As: 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one), 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-enone, 5,5-dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one, 5,5-Dimethyl-4'-nitro-5,6-dihydro[1,1'-biphenyl]-3(4H)-one
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 29339-45-5 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)C2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | PQJSKXZUVOHBHU-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one) (CAS 29339-45-5), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: 5,5-dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one.
Chemical Property Profile of 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one)
Property Insights of 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one). The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one). Following Lipinski's Rule of Five, 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one) has 0 hydrogen bond donor(s) and 3 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 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one)?
The CAS number of 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one) is 29339-45-5.
What is the molecular formula of 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one)?
The molecular formula of 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one) is C14H15NO3.
What is the molecular weight of 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one)?
The molecular weight of 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one) is 245.11 g/mol.
Where can I buy 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one)?
You can request a quote for 5,5-Dimethyl-3-(4-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 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one)?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-3-(4-nitrophenyl)cyclohex-2-en-1-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.