RefChem:1078995
TL;DR: RefChem:1078995 (CAS 51251-60-6) is a chemical compound with molecular formula C32H36I6N4O10 and molecular weight 1397.67 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(butanoylamino)methyl]-5-[3-[2-[3-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid
Also Known As: Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(butyramidomethyl)-2,4,6-triiodo-, 3,3'-{Ethane-1,2-diylbis[oxy(1-oxopropane-3,1-diyl)azanediyl]}bis[5-(butanamidomethyl)-2,4,6-triiodobenzoic acid], 3-[(butanoylamino)methyl]-5-[3-[2-[3-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid, Benzoic acid, 3,3'-(1,2-ethanediylbis(oxy(1-oxo-3,1-propanediyl)imino))bis(2,4,6-triiodo-5-(((1-oxobutyl)amino)methyl)-, BRN 2800876
Technical Specifications
| Molecular Formula | C32H36I6N4O10 |
| Molecular Weight | 1397.67 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 209.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 21 |
| Exact Mass | 1397.67 Da |
| Heavy Atoms | 52 |
| Complexity | 1130.0 |
| SMILES | CCCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CCC)I)I)C(=O)O)I |
| InChIKey | KJIZXRRWFGKGRI-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1078995
Property Insights of RefChem:1078995
The XLogP value of 4.4 indicates that RefChem:1078995 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.0 Ų indicates high polarity, suggesting RefChem:1078995 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1078995 has 6 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 RefChem:1078995?
The CAS number of RefChem:1078995 is 51251-60-6.
What is the molecular formula of RefChem:1078995?
The molecular formula of RefChem:1078995 is C32H36I6N4O10.
What is the molecular weight of RefChem:1078995?
The molecular weight of RefChem:1078995 is 1397.67 g/mol.
Where can I buy RefChem:1078995?
You can request a quote for RefChem:1078995 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1078995?
Yes, CoreyChem provides custom synthesis services for RefChem:1078995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.