Calcichrome
TL;DR: Calcichrome (CAS 27372-98-1) is a chemical compound with molecular formula C40H20N4Na6O28S8 and molecular weight 1397.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexasodium;4-hydroxy-3-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-[8-hydroxy-7-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-3,6-disulfonatonaphthalen-1-yl]naphthalene-2,7-disulfonate
Also Known As: Calcichrome, Calcion, Calcion IREA, (1,1'-Binaphthalene)-3,3',6,6'-tetrasulfonic acid, 8,8'-dihydroxy-7,7'-bis((8-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-,hexasodium salt
| Molecular Formula | C40H20N4Na6O28S8 |
|---|---|
| Molecular Weight | 1397.74 g/mol |
| LogP | -14.4384 |
| Topological Polar Surface Area | 649.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 7 |
| Exact Mass | 1397.7416 |
| Heavy Atoms | 86 |
| Complexity | 3250.0 |
Chemical Identifiers
| CAS Number | 27372-98-1 |
|---|---|
| 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-])C5=C6C(=CC(=C5)S(=O)(=O)[O-])C=C(C(=C6O)N=NC7=C8C(=CC(=C7)S(=O)(=O)[O-])C=C(C=C8O)S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | XODFCIZRPIKHCL-UHFFFAOYSA-H |
Product Overview
Calcichrome (CAS 27372-98-1), with molecular formula C40H20N4Na6O28S8 and molecular weight 1397.74 g/mol. IUPAC: hexasodium;4-hydroxy-3-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-[8-hydroxy-7-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-3,6-disulfonatonaphthalen-1-yl]naphthalene-2,7-disulfonate.
Chemical Property Profile of Calcichrome
Property Insights of Calcichrome
The XLogP value of -14.4384 indicates that Calcichrome is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 649.0 Ų indicates high polarity, suggesting Calcichrome may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcichrome has 6 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcichrome?
The CAS number of Calcichrome is 27372-98-1.
What is the molecular formula of Calcichrome?
The molecular formula of Calcichrome is C40H20N4Na6O28S8.
What is the molecular weight of Calcichrome?
The molecular weight of Calcichrome is 1397.74 g/mol.
Where can I buy Calcichrome?
You can request a quote for Calcichrome directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcichrome?
Yes, KEHONG BIO provides custom synthesis services for Calcichrome and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.