C.I. Direct Brown 31
TL;DR: C.I. Direct Brown 31 (CAS 25180-41-0) is a chemical compound with molecular formula C46H34N10O13S3 and molecular weight 1030.15 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-[[8-hydroxy-3,6-disulfo-7-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalen-2-yl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Also Known As: C.I. Direct Brown 31, 5-[[4-[4-[[2,6-Diamino-3-[[8-hydroxy-3,6-disulfo-7-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalen-2-yl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
| Molecular Formula | C46H34N10O13S3 |
|---|---|
| Molecular Weight | 1030.15 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 417.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 13 |
| Exact Mass | 1030.1469 |
| Heavy Atoms | 72 |
| Complexity | 2330.0 |
Chemical Identifiers
| CAS Number | 25180-41-0 |
|---|---|
| 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=C(C=C6C=C(C(=C(C6=C5)O)N=NC7=CC=C(C8=CC=CC=C87)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | SAIRNRIVDZZHPU-UHFFFAOYSA-N |
Product Overview
C.I. Direct Brown 31 (CAS 25180-41-0), with molecular formula C46H34N10O13S3 and molecular weight 1030.15 g/mol. IUPAC: 5-[[4-[4-[[2,6-diamino-3-[[8-hydroxy-3,6-disulfo-7-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalen-2-yl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid.
Chemical Property Profile of C.I. Direct Brown 31
Property Insights of C.I. Direct Brown 31
The XLogP value of 7.8 indicates that C.I. Direct Brown 31 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 417.0 Ų indicates high polarity, suggesting C.I. Direct Brown 31 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Brown 31 has 8 hydrogen bond donor(s) and 23 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 31?
The CAS number of C.I. Direct Brown 31 is 25180-41-0.
What is the molecular formula of C.I. Direct Brown 31?
The molecular formula of C.I. Direct Brown 31 is C46H34N10O13S3.
What is the molecular weight of C.I. Direct Brown 31?
The molecular weight of C.I. Direct Brown 31 is 1030.15 g/mol.
Where can I buy C.I. Direct Brown 31?
You can request a quote for C.I. Direct Brown 31 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 31?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Brown 31 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.