RefChem:349769
TL;DR: RefChem:349769 (CAS 67314-28-7) is a chemical compound with molecular formula C22H34I3N3O9 and molecular weight 864.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
Also Known As: 5-Hexanoylamino-N-methyl-2,4,6-triiodoisophthalamic acid N-methylglucamine salt, Isophthalamic acid, 5-hexanoylamino-N-methyl-2,4,6-triiodo-, N-methylglucamine salt, 3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate; methyl(2,3,4,5,6-pentahydroxyhexyl)azanium, D-Glucitol, 1-deoxy-1-(methylamino)-, 2,4,6-triiodo-3-[(methylamino)carbonyl]-5-[(1-oxohexyl)amino]benzoate (salt), RefChem:349769
| Molecular Formula | C22H34I3N3O9 |
|---|---|
| Molecular Weight | 864.94 g/mol |
| LogP | -1.64 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 864.9429 |
| Heavy Atoms | 37 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 67314-28-7 |
|---|---|
| SMILES | CCCCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.C[NH2+]CC(C(C(C(CO)O)O)O)O |
| InChIKey | HKPXPCCSVGPIPG-UHFFFAOYSA-N |
Product Overview
RefChem:349769 (CAS 67314-28-7), with molecular formula C22H34I3N3O9 and molecular weight 864.94 g/mol. IUPAC: 3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium.
Chemical Property Profile of RefChem:349769
Property Insights of RefChem:349769
The XLogP value of -1.64 indicates that RefChem:349769 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 216.0 Ų indicates high polarity, suggesting RefChem:349769 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:349769 has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349769?
The CAS number of RefChem:349769 is 67314-28-7.
What is the molecular formula of RefChem:349769?
The molecular formula of RefChem:349769 is C22H34I3N3O9.
What is the molecular weight of RefChem:349769?
The molecular weight of RefChem:349769 is 864.94 g/mol.
Where can I buy RefChem:349769?
You can request a quote for RefChem:349769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349769?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.