C.I. Direct Black 131
TL;DR: C.I. Direct Black 131 (CAS 6486-54-0) is a chemical compound with molecular formula C38H28N8O10S3 and molecular weight 852.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[[4-[4-[(1-amino-5-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid
Also Known As: C.I. Direct Black 131, C.I. Direct Black 131, trisodium salt, Paradiamine Blue Black 3B Extra Conc (*Trisodium salt*), 2,7-Naphthalenedisulfonic acid, 4-amino-3-((4'-((1-amino-5-sulfo-2-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-6-(phenylazo)-, trisodium salt, 2,7-Naphthalenedisulfonic acid, 4-amino-3-[[4'-[(1-amino-5-sulfo-2-naphthalenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)-, trisodium salt
| Molecular Formula | C38H28N8O10S3 |
|---|---|
| Molecular Weight | 852.11 g/mol |
| LogP | 7.8885 |
| Topological Polar Surface Area | 306.05 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 852.1091 |
| Heavy Atoms | 59 |
| Complexity | 3173.875 |
Chemical Identifiers
| CAS Number | 6486-54-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C7=C(C=C6)C(=CC=C7)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
C.I. Direct Black 131 (CAS 6486-54-0), with molecular formula C38H28N8O10S3 and molecular weight 852.11 g/mol. IUPAC: 4-amino-3-[[4-[4-[(1-amino-5-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid.
Chemical Property Profile of C.I. Direct Black 131
Property Insights of C.I. Direct Black 131
The XLogP value of 7.8885 indicates that C.I. Direct Black 131 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 306.05 Ų indicates high polarity, suggesting C.I. Direct Black 131 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Black 131 has 6 hydrogen bond donor(s) and 15 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 131?
The CAS number of C.I. Direct Black 131 is 6486-54-0.
What is the molecular formula of C.I. Direct Black 131?
The molecular formula of C.I. Direct Black 131 is C38H28N8O10S3.
What is the molecular weight of C.I. Direct Black 131?
The molecular weight of C.I. Direct Black 131 is 852.11 g/mol.
Where can I buy C.I. Direct Black 131?
You can request a quote for C.I. Direct Black 131 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 131?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Black 131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.