Dimeray
TL;DR: Dimeray (CAS 54605-45-7) is a chemical compound with molecular formula C38H54I6N6O18 and molecular weight 1643.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;bis(6-(methylamino)hexane-1,2,3,4,5-pentol)
Also Known As: Dimeray, Bis-Conray, Dimer X, Meglumine iocarmate, Dimeglumine iocarmate
| Molecular Formula | C38H54I6N6O18 |
|---|---|
| Molecular Weight | 1643.78 g/mol |
| LogP | -1.15 |
| Topological Polar Surface Area | 417.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Exact Mass | 1643.7762 |
| Heavy Atoms | 68 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 54605-45-7 |
|---|---|
| SMILES | CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I |
| InChIKey | HOBKVSAGFBYKRQ-UHFFFAOYSA-N |
Product Overview
Dimeray (CAS 54605-45-7), with molecular formula C38H54I6N6O18 and molecular weight 1643.78 g/mol. IUPAC: 3-[[6-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;bis(6-(methylamino)hexane-1,2,3,4,5-pentol).
Chemical Property Profile of Dimeray
Property Insights of Dimeray
The XLogP value of -1.15 indicates that Dimeray is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 417.0 Ų indicates high polarity, suggesting Dimeray may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimeray has 18 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimeray?
The CAS number of Dimeray is 54605-45-7.
What is the molecular formula of Dimeray?
The molecular formula of Dimeray is C38H54I6N6O18.
What is the molecular weight of Dimeray?
The molecular weight of Dimeray is 1643.78 g/mol.
Where can I buy Dimeray?
You can request a quote for Dimeray directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimeray?
Yes, KEHONG BIO provides custom synthesis services for Dimeray and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.