Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-)
TL;DR: Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-) (CAS 67340-41-4) is a chemical compound with molecular formula C32H14BaCuN8O6S2 and molecular weight 870.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;barium(2+);2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-5,23-disulfonate
Also Known As: Copper phthalocyanine disulfonic acid, barium salt, Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-), barium [29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32]cuprate(2-), Barium copper(2+) phthalocyanine-6,29-diide-1,15-disulfonate (1/1/1), Cuprate(2-), (29H,31H-phthalocyanine-C,C-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, barium (1:1)
| Molecular Formula | C32H14BaCuN8O6S2 |
|---|---|
| Molecular Weight | 870.88 g/mol |
| LogP | 3.5523 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 0 |
| Exact Mass | 870.8826 |
| Heavy Atoms | 50 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 67340-41-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=C(C(=CC=C8)S(=O)(=O)[O-])C(=N7)N=C2[N-]3)C9=C4C=CC=C9S(=O)(=O)[O-].[Cu+2].[Ba+2] |
| InChIKey | NGHBMKUPGUYKQG-UHFFFAOYSA-L |
Product Overview
Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-) (CAS 67340-41-4), with molecular formula C32H14BaCuN8O6S2 and molecular weight 870.88 g/mol. IUPAC: copper;barium(2+);2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-5,23-disulfonate.
Chemical Property Profile of Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-)
Property Insights of Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-)
The XLogP value of 3.5523 indicates that Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.0 Ų indicates high polarity, suggesting Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-) has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-)?
The CAS number of Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-) is 67340-41-4.
What is the molecular formula of Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-)?
The molecular formula of Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-) is C32H14BaCuN8O6S2.
What is the molecular weight of Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-)?
The molecular weight of Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-) is 870.88 g/mol.
Where can I buy Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-)?
You can request a quote for Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-)?
Yes, KEHONG BIO provides custom synthesis services for Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.