C.I. Direct Black 80
TL;DR: C.I. Direct Black 80 (CAS 8003-69-8) is a chemical compound with molecular formula C36H23N8Na3O11S3 and molecular weight 908.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;6-amino-3-[[7-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-8-hydroxy-6-sulfonatonaphthalen-2-yl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
Also Known As: C.I. Direct Black 80, PHENAZO BLACK OB, DIRECT BLACK 80, DIAZOPHENYL BLACK BW, C.I. 31600
| Molecular Formula | C36H23N8Na3O11S3 |
|---|---|
| Molecular Weight | 908.03 g/mol |
| LogP | -1.31 |
| Topological Polar Surface Area | 363.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 6 |
| Exact Mass | 908.0342 |
| Heavy Atoms | 61 |
| Complexity | 1830.0 |
| Melting Point | greater than 300.0 °C |
| Solubility | 1 to 10 mg/mL at 64 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 8003-69-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)[O-])N=NC4=C(C=C5C=CC(=CC5=C4O)N=NC6=C(C=C7C=CC(=CC7=C6O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | ZHFRUBUQJRJWPO-UHFFFAOYSA-K |
Product Overview
C.I. Direct Black 80 (CAS 8003-69-8), with molecular formula C36H23N8Na3O11S3 and molecular weight 908.03 g/mol. IUPAC: trisodium;6-amino-3-[[7-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-8-hydroxy-6-sulfonatonaphthalen-2-yl]diazenyl]-4-hydroxynaphthalene-2-sulfonate.
Chemical Property Profile of C.I. Direct Black 80
Property Insights of C.I. Direct Black 80
The XLogP value of -1.31 indicates that C.I. Direct Black 80 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 363.0 Ų indicates high polarity, suggesting C.I. Direct Black 80 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Black 80 has 4 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 Black 80?
The CAS number of C.I. Direct Black 80 is 8003-69-8.
What is the molecular formula of C.I. Direct Black 80?
The molecular formula of C.I. Direct Black 80 is C36H23N8Na3O11S3.
What is the molecular weight of C.I. Direct Black 80?
The molecular weight of C.I. Direct Black 80 is 908.03 g/mol.
Where can I buy C.I. Direct Black 80?
You can request a quote for C.I. Direct Black 80 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 Black 80?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Black 80 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.