Eriochrome cyanin
TL;DR: Eriochrome cyanin (CAS 83784-16-1) is a chemical compound with molecular formula C23H18NaO9S+ and molecular weight 493.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 5-[3-(3-carboxy-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzoic acid
Also Known As: Eriochrome cyanin, Chrome Cyanine R, Eriochrome Cyanine, Mordant Blue 3, Eriochrome Cyanine R
| Molecular Formula | C23H18NaO9S+ |
|---|---|
| Molecular Weight | 493.06 g/mol |
| LogP | 0.12584 |
| Topological Polar Surface Area | 158.43 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.05692 |
| Heavy Atoms | 34 |
| Complexity | 1392.0028 |
Chemical Identifiers
| CAS Number | 83784-16-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(=O)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)C(=O)O.[Na+] |
Product Overview
Eriochrome cyanin (CAS 83784-16-1), with molecular formula C23H18NaO9S+ and molecular weight 493.06 g/mol. IUPAC: sodium 5-[3-(3-carboxy-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzoic acid.
Chemical Property Profile of Eriochrome cyanin
Property Insights of Eriochrome cyanin
The XLogP value of 0.12584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Eriochrome cyanin. The TPSA of 158.43 Ų indicates high polarity, suggesting Eriochrome cyanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Eriochrome cyanin has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eriochrome cyanin?
The CAS number of Eriochrome cyanin is 83784-16-1.
What is the molecular formula of Eriochrome cyanin?
The molecular formula of Eriochrome cyanin is C23H18NaO9S+.
What is the molecular weight of Eriochrome cyanin?
The molecular weight of Eriochrome cyanin is 493.06 g/mol.
Where can I buy Eriochrome cyanin?
You can request a quote for Eriochrome cyanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eriochrome cyanin?
Yes, KEHONG BIO provides custom synthesis services for Eriochrome cyanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.