C.I. Acid Red 114
TL;DR: C.I. Acid Red 114 (CAS 6459-94-5) is a chemical compound with molecular formula C37H28N4Na2O10S3 and molecular weight 830.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;7-hydroxy-8-[[2-methyl-4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate
Also Known As: Acid Red 114, C.I. Acid Red 114, Polar Red RS, Sulphonol Red R, Supranol Red R
| Molecular Formula | C37H28N4Na2O10S3 |
|---|---|
| Molecular Weight | 830.08 g/mol |
| LogP | 2.55 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 830.0763 |
| Heavy Atoms | 56 |
| Complexity | 1620.0 |
| Melting Point | 200-300 °C (decomposes) |
| Solubility | less than 0.1 mg/mL at 72.5 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 6459-94-5 |
|---|---|
| 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.[Na+].[Na+] |
| InChIKey | HNBQFKZSMFFZQY-UHFFFAOYSA-L |
Product Overview
C.I. Acid Red 114 (CAS 6459-94-5), with molecular formula C37H28N4Na2O10S3 and molecular weight 830.08 g/mol. IUPAC: disodium;7-hydroxy-8-[[2-methyl-4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate.
Chemical Property Profile of C.I. Acid Red 114
Property Insights of C.I. Acid Red 114
The XLogP value of 2.55 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Acid Red 114. The TPSA of 253.0 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 1 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 6459-94-5.
What is the molecular formula of C.I. Acid Red 114?
The molecular formula of C.I. Acid Red 114 is C37H28N4Na2O10S3.
What is the molecular weight of C.I. Acid Red 114?
The molecular weight of C.I. Acid Red 114 is 830.08 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.