RefChem:326955
TL;DR: RefChem:326955 (CAS 51211-02-0) is a chemical compound with molecular formula C28H28I6N4O11 and molecular weight 1357.6023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Also Known As: Benzoic acid, 3,3'-(oxybis(ethyleneoxyethylenecarbonylimino))bis(5-(methylcarbamoyl)-2,4,6-triiodo-, 3,3'-{Oxybis[(ethane-2,1-diyl)oxy(1-hydroxyprop-3-yl-1-ylidene)azanylylidene]}bis{5-[hydroxy(methylimino)methyl]-2,4,6-triiodobenzoic acid}, 3,3'-{Oxybis[ethane-2,1-diyloxy(1-hydroxypropan-3-yl-1-ylidene)azanylylidene]}bis{5-[hydroxy(methylimino)methyl]-2,4,6-triiodobenzoic acid}, 3-[3-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid, BRN 2800767
Technical Specifications
| Molecular Formula | C28H28I6N4O11 |
| Molecular Weight | 1357.6023 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 1357.6023 Da |
| Heavy Atoms | 49 |
| Complexity | 1090.0 |
| SMILES | CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I |
| InChIKey | IADUEKFIZPXZGK-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:326955
Property Insights of RefChem:326955
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326955. The TPSA of 219.0 Ų indicates high polarity, suggesting RefChem:326955 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:326955 has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:326955?
The CAS number of RefChem:326955 is 51211-02-0.
What is the molecular formula of RefChem:326955?
The molecular formula of RefChem:326955 is C28H28I6N4O11.
What is the molecular weight of RefChem:326955?
The molecular weight of RefChem:326955 is 1357.6023 g/mol.
Where can I buy RefChem:326955?
You can request a quote for RefChem:326955 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:326955?
Yes, CoreyChem provides custom synthesis services for RefChem:326955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.