C.I. Direct Orange 72
TL;DR: C.I. Direct Orange 72 (CAS 74398-76-8) is a chemical compound with molecular formula C37H28N6Na4O15S4 and molecular weight 1016.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate
Also Known As: C.I. Direct Orange 72, CI Direct Orange 72, 1,3-Naphthalenedisulfonic acid, 7,7'-(carbonylbis(imino(5-methoxy-2-methyl-4,1-phenylene)-2,1-diazenediyl))bis-, sodium salt (1:4), 1,3-Naphthalenedisulfonic acid, 7,7'-(carbonylbis(imino(5-methoxy-2-methyl-4,1-phenylene)azo))bis-, tetrasodium salt, 1,3-Naphthalenedisulfonic acid, 7,7'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis-, sodium salt (1:4)
| Molecular Formula | C37H28N6Na4O15S4 |
|---|---|
| Molecular Weight | 1016.01 g/mol |
| LogP | -5.26576 |
| Topological Polar Surface Area | 371.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 8 |
| Exact Mass | 1016.0086 |
| Heavy Atoms | 66 |
| Complexity | 1890.0 |
Chemical Identifiers
| CAS Number | 74398-76-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NC(=O)NC4=C(C=C(C(=C4)C)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | DQZDXNOLPPLSFD-UHFFFAOYSA-J |
Product Overview
C.I. Direct Orange 72 (CAS 74398-76-8), with molecular formula C37H28N6Na4O15S4 and molecular weight 1016.01 g/mol. IUPAC: tetrasodium;7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate.
Chemical Property Profile of C.I. Direct Orange 72
Property Insights of C.I. Direct Orange 72
The XLogP value of -5.26576 indicates that C.I. Direct Orange 72 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 371.0 Ų indicates high polarity, suggesting C.I. Direct Orange 72 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Orange 72 has 2 hydrogen bond donor(s) and 19 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. Direct Orange 72?
The CAS number of C.I. Direct Orange 72 is 74398-76-8.
What is the molecular formula of C.I. Direct Orange 72?
The molecular formula of C.I. Direct Orange 72 is C37H28N6Na4O15S4.
What is the molecular weight of C.I. Direct Orange 72?
The molecular weight of C.I. Direct Orange 72 is 1016.01 g/mol.
Where can I buy C.I. Direct Orange 72?
You can request a quote for C.I. Direct Orange 72 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Direct Orange 72?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Orange 72 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.