EINECS 267-399-3
TL;DR: EINECS 267-399-3 (CAS 68462-57-7) is a chemical compound with molecular formula C21H19CuN3O15S4 and molecular weight 743.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;2-diazonio-4-(2-sulfooxyethylsulfonyl)phenolate;4-oxido-7-(3-sulfopropanoylamino)naphthalene-2-sulfonate
Also Known As: copper(2+) 4-oxido-7-[(3-sulfopropanoyl)amino]naphthalene-2-sulfonate- 2-diazonio-4-{[2-(sulfooxy)ethyl]sulfonyl}phenolate(1:1:1), copper; 2-diazonio-4-(2-sulfooxyethylsulfonyl)phenolate; 4-oxido-7-(3-sulfopropanoylamino)naphthalene-2-sulfonate
| Molecular Formula | C21H19CuN3O15S4 |
|---|---|
| Molecular Weight | 743.90 g/mol |
| LogP | -0.13 |
| Topological Polar Surface Area | 346.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 743.8995 |
| Heavy Atoms | 44 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 68462-57-7 |
|---|---|
| SMILES | C1=CC2=C(C=C(C=C2C=C1NC(=O)CCS(=O)(=O)O)S(=O)(=O)[O-])[O-].C1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)[N+]#N)[O-].[Cu+2] |
| InChIKey | KITOSDOMSSSROR-UHFFFAOYSA-L |
Product Overview
EINECS 267-399-3 (CAS 68462-57-7), with molecular formula C21H19CuN3O15S4 and molecular weight 743.90 g/mol. IUPAC: copper;2-diazonio-4-(2-sulfooxyethylsulfonyl)phenolate;4-oxido-7-(3-sulfopropanoylamino)naphthalene-2-sulfonate.
Chemical Property Profile of EINECS 267-399-3
Property Insights of EINECS 267-399-3
The XLogP value of -0.13 indicates that EINECS 267-399-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 346.0 Ų indicates high polarity, suggesting EINECS 267-399-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 267-399-3 has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 267-399-3?
The CAS number of EINECS 267-399-3 is 68462-57-7.
What is the molecular formula of EINECS 267-399-3?
The molecular formula of EINECS 267-399-3 is C21H19CuN3O15S4.
What is the molecular weight of EINECS 267-399-3?
The molecular weight of EINECS 267-399-3 is 743.90 g/mol.
Where can I buy EINECS 267-399-3?
You can request a quote for EINECS 267-399-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 267-399-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 267-399-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.