Heptacosane,11,13-dimethyl
TL;DR: Heptacosane,11,13-dimethyl (CAS 151733-55-0) is a chemical compound with molecular formula C46H46N16O6S and molecular weight 950.3507 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-methyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);sulfuric acid
Also Known As: Heptacosane,11,13-dimethyl, C23H22N8O.1/2H2O4S, C23-H22-N8-O.1/2H2-O4-S, (1,2,4)Triazolo(1,5-a)pyrimidin-7-ol, 2-methyl-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, sulfate (2:1) (salt), 2-methyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;sulfuric acid
Technical Specifications
| Molecular Formula | C46H46N16O6S |
| Molecular Weight | 950.3507 g/mol |
| XLogP | 5.58004 |
| Topological Polar Surface Area (TPSA) | 306.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 950.3507 Da |
| Heavy Atoms | 69 |
| Complexity | 894.0 |
| SMILES | CCCC1=C(C(=O)N2C(=N1)N=C(N2)C)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5.CCCC1=C(C(=O)N2C(=N1)N=C(N2)C)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5.OS(=O)(=O)O |
| InChIKey | ONCZRCHEISNQJI-UHFFFAOYSA-N |
Chemical Property Profile of Heptacosane,11,13-dimethyl
Property Insights of Heptacosane,11,13-dimethyl
The XLogP value of 5.58004 indicates that Heptacosane,11,13-dimethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 306.0 Ų indicates high polarity, suggesting Heptacosane,11,13-dimethyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Heptacosane,11,13-dimethyl has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Heptacosane,11,13-dimethyl?
The CAS number of Heptacosane,11,13-dimethyl is 151733-55-0.
What is the molecular formula of Heptacosane,11,13-dimethyl?
The molecular formula of Heptacosane,11,13-dimethyl is C46H46N16O6S.
What is the molecular weight of Heptacosane,11,13-dimethyl?
The molecular weight of Heptacosane,11,13-dimethyl is 950.3507 g/mol.
Where can I buy Heptacosane,11,13-dimethyl?
You can request a quote for Heptacosane,11,13-dimethyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Heptacosane,11,13-dimethyl?
Yes, CoreyChem provides custom synthesis services for Heptacosane,11,13-dimethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.