Acid Red 111 free acid
TL;DR: Acid Red 111 free acid (CAS 29128-77-6) is a chemical compound with molecular formula C37H30N4O10S3 and molecular weight 786.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-[[3-methyl-4-[2-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Also Known As: Acid Red 111 free acid, Acid Red 111 parent, 3-((2,2'-Dimethyl-4'-((4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid, 2,7-NAPHTHALENEDISULFONIC ACID, 3-((2,2'-DIMETHYL-4'-((4-(((4-METHYLPHENYL)SULFONYL)OXY)PHENYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)-4-HYDROXY-, 2,7-NAPHTHALENEDISULFONIC ACID, 3-(2-(2,2'-DIMETHYL-4'-(2-(4-(((4-METHYLPHENYL)SULFONYL)OXY)PHENYL)DIAZENYL)(1,1'-BIPHENYL)-4-YL)DIAZENYL)-4-HYDROXY-
| Molecular Formula | C37H30N4O10S3 |
|---|---|
| Molecular Weight | 786.11 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 786.1124 |
| Heavy Atoms | 54 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 29128-77-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=CC(=C(C=C3)C4=C(C=C(C=C4)N=NC5=C(C=C6C=C(C=CC6=C5O)S(=O)(=O)O)S(=O)(=O)O)C)C |
| InChIKey | YSHSHWHUIBZXKJ-UHFFFAOYSA-N |
Product Overview
Acid Red 111 free acid (CAS 29128-77-6), with molecular formula C37H30N4O10S3 and molecular weight 786.11 g/mol. IUPAC: 4-hydroxy-3-[[3-methyl-4-[2-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid.
Chemical Property Profile of Acid Red 111 free acid
Property Insights of Acid Red 111 free acid
The XLogP value of 7.7 indicates that Acid Red 111 free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 247.0 Ų indicates high polarity, suggesting Acid Red 111 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acid Red 111 free acid has 3 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 Acid Red 111 free acid?
The CAS number of Acid Red 111 free acid is 29128-77-6.
What is the molecular formula of Acid Red 111 free acid?
The molecular formula of Acid Red 111 free acid is C37H30N4O10S3.
What is the molecular weight of Acid Red 111 free acid?
The molecular weight of Acid Red 111 free acid is 786.11 g/mol.
Where can I buy Acid Red 111 free acid?
You can request a quote for Acid Red 111 free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acid Red 111 free acid?
Yes, KEHONG BIO provides custom synthesis services for Acid Red 111 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.