111In-Atn-10
TL;DR: 111In-Atn-10 (CAS 134837-80-2) is a chemical compound with molecular formula C50H62MnN7O17 and molecular weight 1087.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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;manganese(3+);hydroxide;hydrate
Also Known As: Atn 10, 111In-Atn-10, 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;manganese(3+);hydroxide;hydrate, (OC-6-24)-Aqua(7-(15-carboxy-8,11,14-tris(carboxymethyl)-1-methyl-6-oxo-2,5-dioxa-8,11,14-triazapentadec-1-yl)-12-ethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(7-)-N21,N22,N23,N24)hydroxymanganate(6-) hexahydrogen, 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; manganese(3+); hydroxide; hydrate
| Molecular Formula | C50H62MnN7O17 |
|---|---|
| Molecular Weight | 1087.36 g/mol |
| LogP | -4.87286 |
| Topological Polar Surface Area | 401.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 28 |
| Exact Mass | 1087.3583 |
| Heavy Atoms | 75 |
| Complexity | 2887.7048 |
Chemical Identifiers
| CAS Number | 134837-80-2 |
|---|---|
| SMILES | [H+].[H+].[H+].[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-].[Mn+3] |
Product Overview
111In-Atn-10 (CAS 134837-80-2), with molecular formula C50H62MnN7O17 and molecular weight 1087.36 g/mol. IUPAC: 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;manganese(3+);hydroxide;hydrate.
Chemical Property Profile of 111In-Atn-10
Property Insights of 111In-Atn-10
The XLogP value of -4.87286 indicates that 111In-Atn-10 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 401.51 Ų indicates high polarity, suggesting 111In-Atn-10 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 111In-Atn-10 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 111In-Atn-10?
The CAS number of 111In-Atn-10 is 134837-80-2.
What is the molecular formula of 111In-Atn-10?
The molecular formula of 111In-Atn-10 is C50H62MnN7O17.
What is the molecular weight of 111In-Atn-10?
The molecular weight of 111In-Atn-10 is 1087.36 g/mol.
Where can I buy 111In-Atn-10?
You can request a quote for 111In-Atn-10 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 111In-Atn-10?
Yes, KEHONG BIO provides custom synthesis services for 111In-Atn-10 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.