Direct black-154
TL;DR: Direct black-154 (CAS 54804-85-2) is a chemical compound with molecular formula C36H29N9Na2O7S2 and molecular weight 809.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(6Z)-4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
Also Known As: Direct black-154, C.I. Direct Black 154, EINECS 259-355-7, 2,7-Naphthalenedisulfonic acid, 4-amino-3-((4'-((2,4-diaminophenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-6-(phenylazo)-, disodium salt, 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4'-(2-(2,4-diaminophenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:2)
| Molecular Formula | C36H29N9Na2O7S2 |
|---|---|
| Molecular Weight | 809.14 g/mol |
| LogP | 1.01044 |
| Topological Polar Surface Area | 283.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 809.1427 |
| Heavy Atoms | 56 |
| Complexity | 2725.334 |
Chemical Identifiers
| CAS Number | 54804-85-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(/C(=N\NC5=CC=CC=C5)/C(=O)C4=C3N)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC6=C(C=C(C=C6)N)N.[Na+].[Na+] |
Product Overview
Direct black-154 (CAS 54804-85-2), with molecular formula C36H29N9Na2O7S2 and molecular weight 809.14 g/mol. IUPAC: disodium;(6Z)-4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate.
Chemical Property Profile of Direct black-154
Property Insights of Direct black-154
The XLogP value of 1.01044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Direct black-154. The TPSA of 283.36 Ų indicates high polarity, suggesting Direct black-154 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct black-154 has 4 hydrogen bond donor(s) and 16 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-154?
The CAS number of Direct black-154 is 54804-85-2.
What is the molecular formula of Direct black-154?
The molecular formula of Direct black-154 is C36H29N9Na2O7S2.
What is the molecular weight of Direct black-154?
The molecular weight of Direct black-154 is 809.14 g/mol.
Where can I buy Direct black-154?
You can request a quote for Direct black-154 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Direct black-154?
Yes, KEHONG BIO provides custom synthesis services for Direct black-154 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.