RefChem:120172
TL;DR: RefChem:120172 (CAS 79665-42-2) is a chemical compound with molecular formula C62H62Cu2FeN10O6 and molecular weight 1224.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis([9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium);bis(copper(1+));iron(2+);hexacyanide
Also Known As: Bis(9-(o-carboxyphenyl)-3,6-bis(diethylamino)xanthylium) dicopper(1+) hexa(cyano-C)ferrate(4-), Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, copper(1++) (OC-6-11)-hexakis(cyano-C)ferrate(4-) (2:2:1), [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium; copper(1+); iron(2+); hexacyanide, 279-229-5, Bis[9-(o-carboxyphenyl)-3,6-bis(diethylamino)xanthylium] dicopper(1+) hexa(cyano-C)ferrate(4-)
| Molecular Formula | C62H62Cu2FeN10O6 |
|---|---|
| Molecular Weight | 1224.28 g/mol |
| LogP | 11.69 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 14 |
| Exact Mass | 1224.2795 |
| Heavy Atoms | 81 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 79665-42-2 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Cu+].[Cu+] |
| InChIKey | QJTHTIKJWBNCOV-UHFFFAOYSA-P |
Product Overview
RefChem:120172 (CAS 79665-42-2), with molecular formula C62H62Cu2FeN10O6 and molecular weight 1224.28 g/mol. IUPAC: bis([9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium);bis(copper(1+));iron(2+);hexacyanide.
Chemical Property Profile of RefChem:120172
Property Insights of RefChem:120172
The XLogP value of 11.69 indicates that RefChem:120172 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 248.0 Ų indicates high polarity, suggesting RefChem:120172 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:120172 has 2 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:120172?
The CAS number of RefChem:120172 is 79665-42-2.
What is the molecular formula of RefChem:120172?
The molecular formula of RefChem:120172 is C62H62Cu2FeN10O6.
What is the molecular weight of RefChem:120172?
The molecular weight of RefChem:120172 is 1224.28 g/mol.
Where can I buy RefChem:120172?
You can request a quote for RefChem:120172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:120172?
Yes, KEHONG BIO provides custom synthesis services for RefChem:120172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.