Contralume ultra
TL;DR: Contralume ultra (CAS 156586-95-7) is a chemical compound with molecular formula C51H54N2O7S and molecular weight 838.3652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione;2-phenyl-3H-benzimidazole-5-sulfonic acid;1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
Also Known As: Contralume ultra, 1-(4-methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione; 2-phenyl-3H-benzoimidazole-5-sulfonic acid; (3Z)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]norbornan-2-one
Technical Specifications
| Molecular Formula | C51H54N2O7S |
| Molecular Weight | 838.3652 g/mol |
| XLogP | 11.32862 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 838.3652 Da |
| Heavy Atoms | 61 |
| Complexity | 1240.0 |
| SMILES | CC1=CC=C(C=C1)C=C2C3CCC(C2=O)(C3(C)C)C.CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC.C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O |
| InChIKey | IGCZXBMWUOSPTO-UHFFFAOYSA-N |
Chemical Property Profile of Contralume ultra
Property Insights of Contralume ultra
The XLogP value of 11.32862 indicates that Contralume ultra is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting Contralume ultra may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Contralume ultra has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Contralume ultra?
The CAS number of Contralume ultra is 156586-95-7.
What is the molecular formula of Contralume ultra?
The molecular formula of Contralume ultra is C51H54N2O7S.
What is the molecular weight of Contralume ultra?
The molecular weight of Contralume ultra is 838.3652 g/mol.
Where can I buy Contralume ultra?
You can request a quote for Contralume ultra directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Contralume ultra?
Yes, CoreyChem provides custom synthesis services for Contralume ultra and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.