CTK5A9221
TL;DR: CTK5A9221 (CAS 59017-39-9) is a chemical compound with molecular formula C12H12I3N3O5 and molecular weight 658.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-aminoacetyl)amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid
Also Known As: 3-((Aminoacetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodobenzoic acid, 3-(glycylamino)-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid, 3-[ amino]-5-[[ amino]carbonyl]-2,4,6-triiodobenzoicacid, 3-[(AMINOACETYL)AMINO]-5-[[(2-HYDROXYETHYL)AMINO]CARBONYL]-2,4,6-TRIIODOBENZOIC ACID, 3-[(2-aminoacetyl)amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid
| Molecular Formula | C12H12I3N3O5 |
|---|---|
| Molecular Weight | 658.79 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 658.7911 |
| Heavy Atoms | 23 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 59017-39-9 |
|---|---|
| SMILES | C(CO)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)CN)I)C(=O)O)I |
| InChIKey | PDXKTSSZEZWKPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK5A9221 (CAS 59017-39-9), with molecular formula C12H12I3N3O5 and molecular weight 658.79 g/mol. IUPAC: 3-[(2-aminoacetyl)amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid.
Chemical Property Profile of CTK5A9221
Property Insights of CTK5A9221
The XLogP value of -2.0 indicates that CTK5A9221 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting CTK5A9221 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK5A9221 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5A9221?
The CAS number of CTK5A9221 is 59017-39-9.
What is the molecular formula of CTK5A9221?
The molecular formula of CTK5A9221 is C12H12I3N3O5.
What is the molecular weight of CTK5A9221?
The molecular weight of CTK5A9221 is 658.79 g/mol.
Where can I buy CTK5A9221?
You can request a quote for CTK5A9221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5A9221?
Yes, KEHONG BIO provides custom synthesis services for CTK5A9221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.