C.I. Direct Brown 1A
TL;DR: C.I. Direct Brown 1A (CAS 25180-38-5) is a chemical compound with molecular formula C32H26N8O6S and molecular weight 650.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-[4-[[2,6-diamino-3-methyl-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Also Known As: C.I. Direct Brown 1A
| Molecular Formula | C32H26N8O6S |
|---|---|
| Molecular Weight | 650.17 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 650.1696 |
| Heavy Atoms | 47 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 25180-38-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)O)N)N=NC5=CC=C(C=C5)S(=O)(=O)O |
| InChIKey | QUCIBXXBUGRARB-UHFFFAOYSA-N |
Product Overview
C.I. Direct Brown 1A (CAS 25180-38-5), with molecular formula C32H26N8O6S and molecular weight 650.17 g/mol. IUPAC: 5-[[4-[4-[[2,6-diamino-3-methyl-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid.
Chemical Property Profile of C.I. Direct Brown 1A
Property Insights of C.I. Direct Brown 1A
The XLogP value of 6.3 indicates that C.I. Direct Brown 1A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 246.0 Ų indicates high polarity, suggesting C.I. Direct Brown 1A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Brown 1A has 5 hydrogen bond donor(s) and 14 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 1A?
The CAS number of C.I. Direct Brown 1A is 25180-38-5.
What is the molecular formula of C.I. Direct Brown 1A?
The molecular formula of C.I. Direct Brown 1A is C32H26N8O6S.
What is the molecular weight of C.I. Direct Brown 1A?
The molecular weight of C.I. Direct Brown 1A is 650.17 g/mol.
Where can I buy C.I. Direct Brown 1A?
You can request a quote for C.I. Direct Brown 1A 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 1A?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Brown 1A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.