RefChem:326950
TL;DR: RefChem:326950 (CAS 51211-03-1) is a chemical compound with molecular formula C30H32I6N4O12 and molecular weight 1401.6285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-[2-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Also Known As: Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis (5-(methylcarbamoyl)-2,4,6-triiodo-, 3,3'-[(1,16-Dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)bis(azanediyl)]bis[2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid], 3-[3-[2-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid, BRN 2800851
Technical Specifications
| Molecular Formula | C30H32I6N4O12 |
| Molecular Weight | 1401.6285 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 228.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 1401.6285 Da |
| Heavy Atoms | 52 |
| Complexity | 1140.0 |
| SMILES | CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I |
| InChIKey | JVYKDNBEAASPBV-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:326950
Property Insights of RefChem:326950
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326950. The TPSA of 228.0 Ų indicates high polarity, suggesting RefChem:326950 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:326950 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:326950?
The CAS number of RefChem:326950 is 51211-03-1.
What is the molecular formula of RefChem:326950?
The molecular formula of RefChem:326950 is C30H32I6N4O12.
What is the molecular weight of RefChem:326950?
The molecular weight of RefChem:326950 is 1401.6285 g/mol.
Where can I buy RefChem:326950?
You can request a quote for RefChem:326950 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:326950?
Yes, CoreyChem provides custom synthesis services for RefChem:326950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.