RefChem:349767
TL;DR: RefChem:349767 (CAS 67336-59-8) is a chemical compound with molecular formula C20H30I3N3O9 and molecular weight 836.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(butanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
Also Known As: 5-Butyrylamino-N-methyl-2,4,6-triiodoisophthalamic acid N-methylglucamine salt, Isophthalamic acid, 5-butyrylamino-N-methyl-2,4,6-triiodo-, N-methylglucamine salt, 3-(butanoylamino)-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-oxobutyl)amino]benzoate (salt), RefChem:349767
| Molecular Formula | C20H30I3N3O9 |
|---|---|
| Molecular Weight | 836.91 g/mol |
| LogP | -2.42 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 836.9116 |
| Heavy Atoms | 35 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 67336-59-8 |
|---|---|
| SMILES | CCCC(=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 | XECUYVLMRPJEFX-UHFFFAOYSA-N |
Product Overview
RefChem:349767 (CAS 67336-59-8), with molecular formula C20H30I3N3O9 and molecular weight 836.91 g/mol. IUPAC: 3-(butanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium.
Chemical Property Profile of RefChem:349767
Property Insights of RefChem:349767
The XLogP value of -2.42 indicates that RefChem:349767 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:349767 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:349767 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:349767?
The CAS number of RefChem:349767 is 67336-59-8.
What is the molecular formula of RefChem:349767?
The molecular formula of RefChem:349767 is C20H30I3N3O9.
What is the molecular weight of RefChem:349767?
The molecular weight of RefChem:349767 is 836.91 g/mol.
Where can I buy RefChem:349767?
You can request a quote for RefChem:349767 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349767?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349767 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.