o-Cresol, 4,6-dinitro-, barium derivative
TL;DR: o-Cresol, 4,6-dinitro-, barium derivative (CAS 63989-83-3) is a chemical compound with molecular formula C14H10BaN4O10 and molecular weight 531.94495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
barium(2+);bis(2-methyl-4,6-dinitrophenolate)
Also Known As: 4,6-Dinitro-o-cresol barium derivative, o-CRESOL, 4,6-DINITRO-, BARIUM DERIVATIVE, Barium bis(2-methyl-4,6-dinitrophenolate), barium(2+); 2-methyl-4,6-dinitrophenolate, Phenol, 2-methyl-4,6-dinitro-, barium salt
Technical Specifications
| Molecular Formula | C14H10BaN4O10 |
| Molecular Weight | 531.94495 g/mol |
| XLogP | 1.39 |
| Topological Polar Surface Area (TPSA) | 229.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 531.94495 Da |
| Heavy Atoms | 29 |
| Complexity | 245.0 |
| SMILES | CC1=CC(=CC(=C1[O-])[N+](=O)[O-])[N+](=O)[O-].CC1=CC(=CC(=C1[O-])[N+](=O)[O-])[N+](=O)[O-].[Ba+2] |
| InChIKey | IPTLYQVVKJEQQW-UHFFFAOYSA-L |
Chemical Property Profile of o-Cresol, 4,6-dinitro-, barium derivative
Property Insights of o-Cresol, 4,6-dinitro-, barium derivative
The XLogP value of 1.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Cresol, 4,6-dinitro-, barium derivative. The TPSA of 229.0 Ų indicates high polarity, suggesting o-Cresol, 4,6-dinitro-, barium derivative may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, o-Cresol, 4,6-dinitro-, barium derivative has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of o-Cresol, 4,6-dinitro-, barium derivative?
The CAS number of o-Cresol, 4,6-dinitro-, barium derivative is 63989-83-3.
What is the molecular formula of o-Cresol, 4,6-dinitro-, barium derivative?
The molecular formula of o-Cresol, 4,6-dinitro-, barium derivative is C14H10BaN4O10.
What is the molecular weight of o-Cresol, 4,6-dinitro-, barium derivative?
The molecular weight of o-Cresol, 4,6-dinitro-, barium derivative is 531.94495 g/mol.
Where can I buy o-Cresol, 4,6-dinitro-, barium derivative?
You can request a quote for o-Cresol, 4,6-dinitro-, barium derivative directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Cresol, 4,6-dinitro-, barium derivative?
Yes, CoreyChem provides custom synthesis services for o-Cresol, 4,6-dinitro-, barium derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.