Direct Black 22
TL;DR: Direct Black 22 (CAS 6473-13-8) is a chemical compound with molecular formula C44H32N13Na3O11S3 and molecular weight 1083.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[4-[[7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-2-sulfonatoanilino]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
Also Known As: Direct black 22, C.I. DIRECT BLACK 22, Formal Fast Black B, DIRECTBLACK22, Direct Black 22, tech.
| Molecular Formula | C44H32N13Na3O11S3 |
|---|---|
| Molecular Weight | 1083.12 g/mol |
| LogP | 0.86 |
| Topological Polar Surface Area | 452.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 10 |
| Exact Mass | 1083.12 |
| Heavy Atoms | 74 |
| Complexity | 2220.0 |
Chemical Identifiers
| CAS Number | 6473-13-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=C(C=C(C=C2)N=NC3=C(C=C4C=CC(=CC4=C3O)N=NC5=C(C=C(C=C5)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C(C=C7C=CC(=CC7=C6O)N=NC8=C(C=C(C=C8)N)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | QTFHTNFVUCUDIR-UHFFFAOYSA-K |
Product Overview
Direct Black 22 (CAS 6473-13-8), with molecular formula C44H32N13Na3O11S3 and molecular weight 1083.12 g/mol. IUPAC: trisodium;6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[4-[[7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-2-sulfonatoanilino]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate.
Chemical Property Profile of Direct Black 22
Property Insights of Direct Black 22
The XLogP value of 0.86 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Direct Black 22. The TPSA of 452.0 Ų indicates high polarity, suggesting Direct Black 22 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Black 22 has 7 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Direct Black 22?
The CAS number of Direct Black 22 is 6473-13-8.
What is the molecular formula of Direct Black 22?
The molecular formula of Direct Black 22 is C44H32N13Na3O11S3.
What is the molecular weight of Direct Black 22?
The molecular weight of Direct Black 22 is 1083.12 g/mol.
Where can I buy Direct Black 22?
You can request a quote for Direct Black 22 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Direct Black 22?
Yes, KEHONG BIO provides custom synthesis services for Direct Black 22 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.