Acid black 94
TL;DR: Acid black 94 (CAS 98705-48-7) is a chemical compound with molecular formula C41H29N8Na3O11S3 and molecular weight 974.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;(6Z)-4-amino-3-[[4-[4-[(2E)-2-[2-(2-methylanilino)-4-oxocyclohexa-2,5-dien-1-ylidene]hydrazinyl]phenyl]phenyl]diazenyl]-5-oxo-6-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate
Also Known As: Acid black 94, C.I. Acid Black 94, EINECS 228-784-1, EINECS 308-870-6, C.I. Acid Black 94, trisodium salt
| Molecular Formula | C41H29N8Na3O11S3 |
|---|---|
| Molecular Weight | 974.08 g/mol |
| LogP | -3.06688 |
| Topological Polar Surface Area | 317.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 974.0811 |
| Heavy Atoms | 66 |
| Complexity | 3271.2793 |
Chemical Identifiers
| CAS Number | 98705-48-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC\2=CC(=O)C=C/C2=N\NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C=C6C=C(/C(=N\NC7=CC=C(C=C7)S(=O)(=O)[O-])/C(=O)C6=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
Product Overview
Acid black 94 (CAS 98705-48-7), with molecular formula C41H29N8Na3O11S3 and molecular weight 974.08 g/mol. IUPAC: trisodium;(6Z)-4-amino-3-[[4-[4-[(2E)-2-[2-(2-methylanilino)-4-oxocyclohexa-2,5-dien-1-ylidene]hydrazinyl]phenyl]phenyl]diazenyl]-5-oxo-6-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate.
Chemical Property Profile of Acid black 94
Property Insights of Acid black 94
The XLogP value of -3.06688 indicates that Acid black 94 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 317.29 Ų indicates high polarity, suggesting Acid black 94 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acid black 94 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 Acid black 94?
The CAS number of Acid black 94 is 98705-48-7.
What is the molecular formula of Acid black 94?
The molecular formula of Acid black 94 is C41H29N8Na3O11S3.
What is the molecular weight of Acid black 94?
The molecular weight of Acid black 94 is 974.08 g/mol.
Where can I buy Acid black 94?
You can request a quote for Acid black 94 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acid black 94?
Yes, KEHONG BIO provides custom synthesis services for Acid black 94 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.