C.I. Orange 46, calcium salt
TL;DR: C.I. Orange 46, calcium salt (CAS 67801-03-0) is a chemical compound with molecular formula C36H28CaCl2N4O8S2 and molecular weight 818.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(5-chloro-4-ethyl-2-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate)
Also Known As: C.I. Orange 46, calcium salt, C18H15ClN2O4S.1/2Ca, C18-H15-Cl-N2-O4-S.1/2Ca, Benzenesulfonicacid,5-chloro-4-ethyl-2- azo-,calciumsalt, Benzenesulfonic acid, 5-chloro-4-ethyl-2-((2-hydroxy-1-naphthalenyl)azo)-, calcium salt (2:1)
| Molecular Formula | C36H28CaCl2N4O8S2 |
|---|---|
| Molecular Weight | 818.04 g/mol |
| LogP | 9.78 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 818.03516 |
| Heavy Atoms | 53 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 67801-03-0 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.[Ca+2] |
| InChIKey | CMDCNMHTTGZTTC-UHFFFAOYSA-L |
Product Overview
C.I. Orange 46, calcium salt (CAS 67801-03-0), with molecular formula C36H28CaCl2N4O8S2 and molecular weight 818.04 g/mol. IUPAC: calcium bis(5-chloro-4-ethyl-2-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate).
Chemical Property Profile of C.I. Orange 46, calcium salt
Property Insights of C.I. Orange 46, calcium salt
The XLogP value of 9.78 indicates that C.I. Orange 46, calcium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting C.I. Orange 46, calcium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Orange 46, calcium salt has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C.I. Orange 46, calcium salt?
The CAS number of C.I. Orange 46, calcium salt is 67801-03-0.
What is the molecular formula of C.I. Orange 46, calcium salt?
The molecular formula of C.I. Orange 46, calcium salt is C36H28CaCl2N4O8S2.
What is the molecular weight of C.I. Orange 46, calcium salt?
The molecular weight of C.I. Orange 46, calcium salt is 818.04 g/mol.
Where can I buy C.I. Orange 46, calcium salt?
You can request a quote for C.I. Orange 46, calcium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Orange 46, calcium salt?
Yes, KEHONG BIO provides custom synthesis services for C.I. Orange 46, calcium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.