2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside
TL;DR: 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside (CAS 58199-95-4) is a chemical compound with molecular formula C16H19I3N2O8 and molecular weight 747.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-2,4,6-triiodo-N-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
Also Known As: 3,5-Dichlor-salicylaldehyd-benzylimin, 2,4,5-Triiodo-3-acetamido-5-N-methylcarboxamidophenyl- D-glucopyranoside, 2,4,5-Triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside, 2,4,6-Triiodo-3-acetamido-5-N-methylcarboxamidophenyl beta-D-glucopyranoside, 3-(Acetylamino)-5-(beta-D-glucopyranosyloxy)-2,4,6-triiodo-N-methylbenzamide
| Molecular Formula | C16H19I3N2O8 |
|---|---|
| Molecular Weight | 747.83 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 747.8276 |
| Heavy Atoms | 29 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 58199-95-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC)I)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)I |
| InChIKey | NGOYURKHFAWGEJ-TVKQLUOBSA-N |
Product Overview
2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside (CAS 58199-95-4), with molecular formula C16H19I3N2O8 and molecular weight 747.83 g/mol. IUPAC: 3-acetamido-2,4,6-triiodo-N-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide.
Chemical Property Profile of 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside
Property Insights of 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside. The TPSA of 158.0 Ų indicates high polarity, suggesting 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside?
The CAS number of 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside is 58199-95-4.
What is the molecular formula of 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside?
The molecular formula of 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside is C16H19I3N2O8.
What is the molecular weight of 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside?
The molecular weight of 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside is 747.83 g/mol.
Where can I buy 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside?
You can request a quote for 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-triiodo-3-acetamido-5-N-methylcarboxamidophenyl-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.