C.I. Direct Brown 54
TL;DR: C.I. Direct Brown 54 (CAS 8003-50-7) is a chemical compound with molecular formula C35H22N6Na2O7S and molecular weight 716.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-hydroxy-5-[[4-[4-[[4-[(4-hydroxyphenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]benzoate
Also Known As: Direct Brown 54, C.I. Direct Brown 54, Direct Fast Brown 2ZhKh, C.I. Direcet Brown 54, Direct Lightfast Brown 2Zhkh
| Molecular Formula | C35H22N6Na2O7S |
|---|---|
| Molecular Weight | 716.11 g/mol |
| LogP | 2.4398 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 716.1066 |
| Heavy Atoms | 51 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 8003-50-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC=C(C=C5)O)S(=O)(=O)[O-])N=NC6=CC(=C(C=C6)O)C(=O)[O-].[Na+].[Na+] |
| InChIKey | PBBWETGKSYXOAZ-UHFFFAOYSA-L |
Product Overview
C.I. Direct Brown 54 (CAS 8003-50-7), with molecular formula C35H22N6Na2O7S and molecular weight 716.11 g/mol. IUPAC: disodium;2-hydroxy-5-[[4-[4-[[4-[(4-hydroxyphenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]benzoate.
Chemical Property Profile of C.I. Direct Brown 54
Property Insights of C.I. Direct Brown 54
The XLogP value of 2.4398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Direct Brown 54. The TPSA of 220.0 Ų indicates high polarity, suggesting C.I. Direct Brown 54 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Brown 54 has 2 hydrogen bond donor(s) and 13 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 Brown 54?
The CAS number of C.I. Direct Brown 54 is 8003-50-7.
What is the molecular formula of C.I. Direct Brown 54?
The molecular formula of C.I. Direct Brown 54 is C35H22N6Na2O7S.
What is the molecular weight of C.I. Direct Brown 54?
The molecular weight of C.I. Direct Brown 54 is 716.11 g/mol.
Where can I buy C.I. Direct Brown 54?
You can request a quote for C.I. Direct Brown 54 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 Brown 54?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Brown 54 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.