RefChem:128801
TL;DR: RefChem:128801 (CAS 14285-61-1) is a chemical compound with molecular formula C32H15CuN8NaO3S and molecular weight 677.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;sodium;2,11,20,29,38,39-hexaza-37,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-nonadecaene-6-sulfonate
Also Known As: Sodium (29H,31H-phthalocyanine-2-sulphonato(3-)-N29,N30,N31,N32)cuprate(1-), Copper(2+) sodium phthalocyanine-29,31-diide-2-sulfonate (1/1/1), Copper, (29H,31H-phthalocyanine-2-sulfonato(2-)-N29,N30,N31,N32)-, sodium salt, Cuprate(1-), (29H,31H-phthalocyanine-2-sulfonato(3-)-kappaN29,kappaN30,kappaN31,kappaN32)-, sodium (1:1), (SP-4-2)-, Cuprate(1-), (29H,31H-phthalocyanine-2-sulfonato(3-)-kappaN29,kappaN30,kappaN31,kappaN32)-, sodium, (SP-4-2)-
| Molecular Formula | C32H15CuN8NaO3S |
|---|---|
| Molecular Weight | 677.02 g/mol |
| LogP | 2.033 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 0 |
| Exact Mass | 677.0181 |
| Heavy Atoms | 46 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 14285-61-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NC4=C5C=C(C=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2[N-]3)S(=O)(=O)[O-].[Na+].[Cu+2] |
| InChIKey | JLGRMRASEXEYHO-UHFFFAOYSA-M |
Product Overview
RefChem:128801 (CAS 14285-61-1), with molecular formula C32H15CuN8NaO3S and molecular weight 677.02 g/mol. IUPAC: copper;sodium;2,11,20,29,38,39-hexaza-37,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-nonadecaene-6-sulfonate.
Chemical Property Profile of RefChem:128801
Property Insights of RefChem:128801
The XLogP value of 2.033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:128801. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:128801 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:128801 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:128801?
The CAS number of RefChem:128801 is 14285-61-1.
What is the molecular formula of RefChem:128801?
The molecular formula of RefChem:128801 is C32H15CuN8NaO3S.
What is the molecular weight of RefChem:128801?
The molecular weight of RefChem:128801 is 677.02 g/mol.
Where can I buy RefChem:128801?
You can request a quote for RefChem:128801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:128801?
Yes, KEHONG BIO provides custom synthesis services for RefChem:128801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.