C.I. Direct Red 11
TL;DR: C.I. Direct Red 11 (CAS 69013-32-7) is a chemical compound with molecular formula C34H25ClN8O10S4 and molecular weight 868.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-chloro-6-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(4-methylphenyl)diazenyl]-7-sulfooxysulfonylnaphthalene-2-sulfonic acid
Also Known As: C.I. Direct Red 11, Diphenyl Brill Pink 3B, 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-(6-methyl-2-benzothiazolyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methylphenyl)azo)-, monosulfo deriv., 5-((4-Chloro-6-(4-(6-methylbenzothiazol-2-yl)anilino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(p-tolylazo)naphthalene-2,7-disulphonic acid, monosulpho derivative, EINECS 273-784-7
| Molecular Formula | C34H25ClN8O10S4 |
|---|---|
| Molecular Weight | 868.03 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 326.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 868.0265 |
| Heavy Atoms | 57 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 69013-32-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)OS(=O)(=O)O)S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)C6=NC7=C(S6)C=C(C=C7)C)Cl)O |
| InChIKey | KQKCBTPRNKSWPJ-UHFFFAOYSA-N |
Product Overview
C.I. Direct Red 11 (CAS 69013-32-7), with molecular formula C34H25ClN8O10S4 and molecular weight 868.03 g/mol. IUPAC: 4-[[4-chloro-6-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(4-methylphenyl)diazenyl]-7-sulfooxysulfonylnaphthalene-2-sulfonic acid.
Chemical Property Profile of C.I. Direct Red 11
Property Insights of C.I. Direct Red 11
The XLogP value of 7.9 indicates that C.I. Direct Red 11 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 326.0 Ų indicates high polarity, suggesting C.I. Direct Red 11 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Red 11 has 5 hydrogen bond donor(s) and 19 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 Red 11?
The CAS number of C.I. Direct Red 11 is 69013-32-7.
What is the molecular formula of C.I. Direct Red 11?
The molecular formula of C.I. Direct Red 11 is C34H25ClN8O10S4.
What is the molecular weight of C.I. Direct Red 11?
The molecular weight of C.I. Direct Red 11 is 868.03 g/mol.
Where can I buy C.I. Direct Red 11?
You can request a quote for C.I. Direct Red 11 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 Red 11?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Red 11 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.