Isopaque cerebral
TL;DR: Isopaque cerebral (CAS 18555-27-6) is a chemical compound with molecular formula C19H28I3N3O9 and molecular weight 822.896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol
Also Known As: Isopaque cerebral, Methylglucamine metrizoate, MEGLUMINE METRIZOATE, Metrizoate de methylglucamine [French], 1-Deoxy-1-(methylamino)-D-glucitol 3-(acetylamino)-5-(acetyl methylamino)-2,4,6-triiodobenzoate(salt) mixt. with 3-(acetylamino)-5-(acetylmethylamino)-2,4,6,- triiodobenzoic acid calcium salt (2:1)
Technical Specifications
| Molecular Formula | C19H28I3N3O9 |
| Molecular Weight | 822.896 g/mol |
| XLogP | -0.22 |
| Topological Polar Surface Area (TPSA) | 200.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 822.896 Da |
| Heavy Atoms | 34 |
| Complexity | 582.0 |
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I.CNCC(C(C(C(CO)O)O)O)O |
| InChIKey | TXKOGNLDVKUFSI-UHFFFAOYSA-N |
Chemical Property Profile of Isopaque cerebral
Property Insights of Isopaque cerebral
The XLogP value of -0.22 indicates that Isopaque cerebral is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.0 Ų indicates high polarity, suggesting Isopaque cerebral may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isopaque cerebral has 8 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 Isopaque cerebral?
The CAS number of Isopaque cerebral is 18555-27-6.
What is the molecular formula of Isopaque cerebral?
The molecular formula of Isopaque cerebral is C19H28I3N3O9.
What is the molecular weight of Isopaque cerebral?
The molecular weight of Isopaque cerebral is 822.896 g/mol.
Where can I buy Isopaque cerebral?
You can request a quote for Isopaque cerebral directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isopaque cerebral?
Yes, CoreyChem provides custom synthesis services for Isopaque cerebral and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.