Indium(111)-atn-2
TL;DR: Indium(111)-atn-2 (CAS 119130-46-0) is a chemical compound with molecular formula C50H59GaInN7O17 and molecular weight 1209.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
gallium;3-[13-[1-[2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxylatoethyl)-8-ethenyl-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;indium-111(3+);hydroxide;hydrate
Also Known As: Indium(111)-atn-2, (111)In-Atn-2, gallium;3-[13-[1-[2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxylatoethyl)-8-ethenyl-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;indium-111(3+);hydroxide;hydrate, Indate(3-)-111In, (aquahydroxygallate)(mu-(mono(2-(1-(13,17-bis(2-carboxyethyl)-7-ethenyl-3,8,12,18-tetramethyl-21H,23H-porphin-2-yl)ethoxy)ethyl) N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(8-)))-, trihydrogen, gallium; 3-[13-[1-[2-[2-[2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetyl]oxyethoxy]ethyl]-8-ethenyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; indium-111(3+); hydroxide; hydrate
| Molecular Formula | C50H59GaInN7O17 |
|---|---|
| Molecular Weight | 1209.23 g/mol |
| LogP | -5.96946 |
| Topological Polar Surface Area | 401.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 28 |
| Exact Mass | 1209.2274 |
| Heavy Atoms | 76 |
| Complexity | 2882.9307 |
Chemical Identifiers
| CAS Number | 119130-46-0 |
|---|---|
| SMILES | [H+].[H+].[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C(C)OCCOC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C)CCC(=O)[O-])CCC(=O)[O-].O.[OH-].[Ga+3].[111In+3] |
Product Overview
Indium(111)-atn-2 (CAS 119130-46-0), with molecular formula C50H59GaInN7O17 and molecular weight 1209.23 g/mol. IUPAC: gallium;3-[13-[1-[2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxylatoethyl)-8-ethenyl-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;indium-111(3+);hydroxide;hydrate.
Chemical Property Profile of Indium(111)-atn-2
Property Insights of Indium(111)-atn-2
The XLogP value of -5.96946 indicates that Indium(111)-atn-2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 401.51 Ų indicates high polarity, suggesting Indium(111)-atn-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Indium(111)-atn-2 has 0 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Indium(111)-atn-2?
The CAS number of Indium(111)-atn-2 is 119130-46-0.
What is the molecular formula of Indium(111)-atn-2?
The molecular formula of Indium(111)-atn-2 is C50H59GaInN7O17.
What is the molecular weight of Indium(111)-atn-2?
The molecular weight of Indium(111)-atn-2 is 1209.23 g/mol.
Where can I buy Indium(111)-atn-2?
You can request a quote for Indium(111)-atn-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indium(111)-atn-2?
Yes, KEHONG BIO provides custom synthesis services for Indium(111)-atn-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.