RefChem:349773
TL;DR: RefChem:349773 (CAS 67314-29-8) is a chemical compound with molecular formula C19H28I3N3O9 and molecular weight 822.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl(2,3,4,5,6-pentahydroxyhexyl)azanium;2,4,6-triiodo-3-(methylcarbamoyl)-5-(propanoylamino)benzoate
Also Known As: N-Methyl-5-propionylamino-2,4,6-triiodoisophthalamic acid N-methylglucamine salt, Isophthalamic acid, N-methyl-5-propionylamino-2,4,6-triiodo-, N-methylglucamine salt, methyl(2,3,4,5,6-pentahydroxyhexyl)azanium;2,4,6-triiodo-3-(methylcarbamoyl)-5-(propanoylamino)benzoate, D-Glucitol, 1-deoxy-1-(methylamino)-, 2,4,6-triiodo-3-[(methylamino)carbonyl]-5-[(1-oxopropyl)amino]benzoate (salt), methyl(2,3,4,5,6-pentahydroxyhexyl)azanium; 2,4,6-triiodo-3-(methylcarbamoyl)-5-(propanoylamino)benzoate
| Molecular Formula | C19H28I3N3O9 |
|---|---|
| Molecular Weight | 822.90 g/mol |
| LogP | -2.81 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 822.896 |
| Heavy Atoms | 34 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 67314-29-8 |
|---|---|
| SMILES | CCC(=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 | PEDXMZAJBPKUJB-UHFFFAOYSA-N |
Product Overview
RefChem:349773 (CAS 67314-29-8), with molecular formula C19H28I3N3O9 and molecular weight 822.90 g/mol. IUPAC: methyl(2,3,4,5,6-pentahydroxyhexyl)azanium;2,4,6-triiodo-3-(methylcarbamoyl)-5-(propanoylamino)benzoate.
Chemical Property Profile of RefChem:349773
Property Insights of RefChem:349773
The XLogP value of -2.81 indicates that RefChem:349773 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:349773 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:349773 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:349773?
The CAS number of RefChem:349773 is 67314-29-8.
What is the molecular formula of RefChem:349773?
The molecular formula of RefChem:349773 is C19H28I3N3O9.
What is the molecular weight of RefChem:349773?
The molecular weight of RefChem:349773 is 822.90 g/mol.
Where can I buy RefChem:349773?
You can request a quote for RefChem:349773 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349773?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.