C.I. Acid Red 114
TL;DR: C.I. Acid Red 114 (CAS 25317-45-7) 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.
7-hydroxy-8-[[2-methyl-4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid
Also Known As: C.I. Acid Red 114, C.I. Acid Red 114 parent, 8-((3,3'-Dimethyl-4'-((4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxynaphthalene-1,3-disulphonic acid, (8Z)-8-[[2-methyl-4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonic acid, (8E)-8-[[2-methyl-4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonic acid
| 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 | 25317-45-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C=CC6=CC(=CC(=C65)S(=O)(=O)O)S(=O)(=O)O)O)C)C |
| InChIKey | SIGHAVOYMKYMPO-UHFFFAOYSA-N |
Product Overview
C.I. Acid Red 114 (CAS 25317-45-7), with molecular formula C37H30N4O10S3 and molecular weight 786.11 g/mol. IUPAC: 7-hydroxy-8-[[2-methyl-4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid.
Chemical Property Profile of C.I. Acid Red 114
Property Insights of C.I. Acid Red 114
The XLogP value of 7.7 indicates that C.I. Acid Red 114 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 247.0 Ų indicates high polarity, suggesting C.I. Acid Red 114 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Acid Red 114 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 C.I. Acid Red 114?
The CAS number of C.I. Acid Red 114 is 25317-45-7.
What is the molecular formula of C.I. Acid Red 114?
The molecular formula of C.I. Acid Red 114 is C37H30N4O10S3.
What is the molecular weight of C.I. Acid Red 114?
The molecular weight of C.I. Acid Red 114 is 786.11 g/mol.
Where can I buy C.I. Acid Red 114?
You can request a quote for C.I. Acid Red 114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Acid Red 114?
Yes, KEHONG BIO provides custom synthesis services for C.I. Acid Red 114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.