RefChem:128807
TL;DR: RefChem:128807 (CAS 68035-71-2) is a chemical compound with molecular formula C44H46CuN10O12S2 and molecular weight 1033.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;bis(2-[bis(2-hydroxyethyl)amino]ethanol);2,11,20,29,37,40-hexaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10(40),11,13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene-5,25-disulfonate;hydron
Also Known As: Cuprate(2-), (29H,31H-phthalocyaninedisulfonato(4-)-N29,N30,N31,N32)-, bis(triethanolamine) salt, Cuprate(2-), (29H,31H-phthalocyaninedisulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-, hydrogen, compd. with 2,2',2''-nitrilotris(ethanol) (1:2:2), Cuprate(2-), (29H,31H-phthalocyaninedisulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-, dihydrogen, compd. with 2,2',2''-nitrilotris(ethanol) (1:2), Cuprate(2-), [29H,31H-phthalocyaninedisulfonato(4-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-, dihydrogen, compd. with 2,2',2''-nitrilotris[ethanol] (1:2), Copper(2+) hydrogen phthalocyanine-29,30-diide-3,15-disulfonate--2,2',2''-nitrilotri(ethan-1-ol) (1/2/1/2)
| Molecular Formula | C44H46CuN10O12S2 |
|---|---|
| Molecular Weight | 1033.20 g/mol |
| LogP | 0.6887 |
| Topological Polar Surface Area | 338.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 1033.2034 |
| Heavy Atoms | 69 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 68035-71-2 |
|---|---|
| SMILES | [H+].[H+].C1=CC=C2C(=C1)C3=NC4=C5C=CC(=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=C(C=CC=C9S(=O)(=O)[O-])C(=N8)N=C2[N-]3)S(=O)(=O)[O-].C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.[Cu+2] |
| InChIKey | LWDHIHZVQRVDHM-UHFFFAOYSA-N |
Product Overview
RefChem:128807 (CAS 68035-71-2), with molecular formula C44H46CuN10O12S2 and molecular weight 1033.20 g/mol. IUPAC: copper;bis(2-[bis(2-hydroxyethyl)amino]ethanol);2,11,20,29,37,40-hexaza-38,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10(40),11,13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene-5,25-disulfonate;hydron.
Chemical Property Profile of RefChem:128807
Property Insights of RefChem:128807
The XLogP value of 0.6887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:128807. The TPSA of 338.0 Ų indicates high polarity, suggesting RefChem:128807 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:128807 has 8 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:128807?
The CAS number of RefChem:128807 is 68035-71-2.
What is the molecular formula of RefChem:128807?
The molecular formula of RefChem:128807 is C44H46CuN10O12S2.
What is the molecular weight of RefChem:128807?
The molecular weight of RefChem:128807 is 1033.20 g/mol.
Where can I buy RefChem:128807?
You can request a quote for RefChem:128807 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:128807?
Yes, KEHONG BIO provides custom synthesis services for RefChem:128807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.