Calcion
TL;DR: Calcion (CAS 3810-39-7) is a chemical compound with molecular formula C30H14N4Na6O22S6 and molecular weight 1111.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexasodium;5-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxy-3-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate
Also Known As: Calcichrome, Calcion, Calcion IREA, EINECS 223-283-4, hexasodium;5-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxy-3-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate
| Molecular Formula | C30H14N4Na6O22S6 |
|---|---|
| Molecular Weight | 1111.78 g/mol |
| LogP | -15.752 |
| Topological Polar Surface Area | 473.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 10 |
| Exact Mass | 1111.781 |
| Heavy Atoms | 68 |
| Complexity | 3804.4788 |
Chemical Identifiers
| CAS Number | 3810-39-7 |
|---|---|
| SMILES | C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
Product Overview
Calcion (CAS 3810-39-7), with molecular formula C30H14N4Na6O22S6 and molecular weight 1111.78 g/mol. IUPAC: hexasodium;5-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxy-3-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of Calcion
Property Insights of Calcion
The XLogP value of -15.752 indicates that Calcion is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 473.56 Ų indicates high polarity, suggesting Calcion may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcion has 4 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcion?
The CAS number of Calcion is 3810-39-7.
What is the molecular formula of Calcion?
The molecular formula of Calcion is C30H14N4Na6O22S6.
What is the molecular weight of Calcion?
The molecular weight of Calcion is 1111.78 g/mol.
Where can I buy Calcion?
You can request a quote for Calcion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcion?
Yes, KEHONG BIO provides custom synthesis services for Calcion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.