RefChem:587727
TL;DR: RefChem:587727 (CAS 67892-59-5) is a chemical compound with molecular formula C18H14CuN2O11S3 and molecular weight 592.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper 2-[[2-oxido-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-4-sulfonaphthalen-1-olate
Also Known As: Dihydrogen (4-hydroxy-3-((2-hydroxy-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-1-sulphonato(4-))cuprate(2-), copper(2+) 2-[(e)-(2-oxido-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-4-sulfonaphthalen-1-olate, Dihydrogen [4-hydroxy-3-[[2-hydroxy-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-1-sulphonato(4-)]cuprate(2-), copper 2-[[2-oxido-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-4-sulfonaphthalen-1-olate, 267-592-2
| Molecular Formula | C18H14CuN2O11S3 |
|---|---|
| Molecular Weight | 592.91 g/mol |
| LogP | 1.24 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 592.9056 |
| Heavy Atoms | 35 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 67892-59-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=C2[O-])N=NC3=C(C=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)[O-])S(=O)(=O)O.[Cu+2] |
| InChIKey | VPFGSPVLNOATTM-UHFFFAOYSA-L |
Product Overview
RefChem:587727 (CAS 67892-59-5), with molecular formula C18H14CuN2O11S3 and molecular weight 592.91 g/mol. IUPAC: copper 2-[[2-oxido-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-4-sulfonaphthalen-1-olate.
Chemical Property Profile of RefChem:587727
Property Insights of RefChem:587727
The XLogP value of 1.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:587727. The TPSA of 248.0 Ų indicates high polarity, suggesting RefChem:587727 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:587727 has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:587727?
The CAS number of RefChem:587727 is 67892-59-5.
What is the molecular formula of RefChem:587727?
The molecular formula of RefChem:587727 is C18H14CuN2O11S3.
What is the molecular weight of RefChem:587727?
The molecular weight of RefChem:587727 is 592.91 g/mol.
Where can I buy RefChem:587727?
You can request a quote for RefChem:587727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:587727?
Yes, KEHONG BIO provides custom synthesis services for RefChem:587727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.