Einecs 228-321-3
TL;DR: Einecs 228-321-3 (CAS 6226-87-5) is a chemical compound with molecular formula C34H39N5O7S2 and molecular weight 693.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexylcyclohexanamine;7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfonic acid
Also Known As: Solvent Red 30, C.I. Solvent Red 30, 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[[4-(phenylazo)phenyl]azo]-, compd. with N-cyclohexylcyclohexanamine, N-Cyclohexylcyclohexanamine;7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfonic acid, 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-(phenylazo)phenyl)azo)-, compd. with N-cyclohexylcyclohexanamine
| Molecular Formula | C34H39N5O7S2 |
|---|---|
| Molecular Weight | 693.23 g/mol |
| LogP | 9.111 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 693.22906 |
| Heavy Atoms | 48 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 6226-87-5 |
|---|---|
| SMILES | C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O |
| InChIKey | HLNMYBZPLZNJPZ-UHFFFAOYSA-N |
Product Overview
Einecs 228-321-3 (CAS 6226-87-5), with molecular formula C34H39N5O7S2 and molecular weight 693.23 g/mol. IUPAC: N-cyclohexylcyclohexanamine;7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfonic acid.
Chemical Property Profile of Einecs 228-321-3
Property Insights of Einecs 228-321-3
The XLogP value of 9.111 indicates that Einecs 228-321-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 207.0 Ų indicates high polarity, suggesting Einecs 228-321-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 228-321-3 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 228-321-3?
The CAS number of Einecs 228-321-3 is 6226-87-5.
What is the molecular formula of Einecs 228-321-3?
The molecular formula of Einecs 228-321-3 is C34H39N5O7S2.
What is the molecular weight of Einecs 228-321-3?
The molecular weight of Einecs 228-321-3 is 693.23 g/mol.
Where can I buy Einecs 228-321-3?
You can request a quote for Einecs 228-321-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 228-321-3?
Yes, KEHONG BIO provides custom synthesis services for Einecs 228-321-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.