C.I. Direct Brown 101
TL;DR: C.I. Direct Brown 101 (CAS 25180-44-3) is a chemical compound with molecular formula C36H24N6O9S and molecular weight 716.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-[4-[[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Also Known As: Benzo Chrome Brown LG, C.I. Direct Brown 101, C.I. 31740, C.I. Direct Brown 101, (*Trisodium salt*), 5-[(E)-[4-[4-[(E)-[4-[(E)-(3-carboxy-4-hydroxy-phenyl)azo]-6-sulfo-1-naphthyl]azo]phenyl]phenyl]azo]-2-hydroxy-benzoic acid
| Molecular Formula | C36H24N6O9S |
|---|---|
| Molecular Weight | 716.13 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 716.13257 |
| Heavy Atoms | 52 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 25180-44-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC(=C(C=C5)O)C(=O)O)S(=O)(=O)O)N=NC6=CC(=C(C=C6)O)C(=O)O |
| InChIKey | AUTINFVSBXCWKB-UHFFFAOYSA-N |
Product Overview
C.I. Direct Brown 101 (CAS 25180-44-3), with molecular formula C36H24N6O9S and molecular weight 716.13 g/mol. IUPAC: 5-[[4-[4-[[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid.
Chemical Property Profile of C.I. Direct Brown 101
Property Insights of C.I. Direct Brown 101
The XLogP value of 8.3 indicates that C.I. Direct Brown 101 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 252.0 Ų indicates high polarity, suggesting C.I. Direct Brown 101 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Brown 101 has 5 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 Brown 101?
The CAS number of C.I. Direct Brown 101 is 25180-44-3.
What is the molecular formula of C.I. Direct Brown 101?
The molecular formula of C.I. Direct Brown 101 is C36H24N6O9S.
What is the molecular weight of C.I. Direct Brown 101?
The molecular weight of C.I. Direct Brown 101 is 716.13 g/mol.
Where can I buy C.I. Direct Brown 101?
You can request a quote for C.I. Direct Brown 101 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 Brown 101?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Brown 101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.