Direct Blue 168
TL;DR: Direct Blue 168 (CAS 3818-60-8) is a chemical compound with molecular formula C40H29N5Na2O10S2 and molecular weight 849.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;7-anilino-4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2-sulfonate
Also Known As: Direct Blue 168, DIRECT COPPER BLUE BR, C.I. Direct Blue 168, Disodium;7-anilino-4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2-sulfonate, Disodium 3-[[4'-[[6-amino-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-1-sulphonate
| Molecular Formula | C40H29N5Na2O10S2 |
|---|---|
| Molecular Weight | 849.12 g/mol |
| LogP | 3.479 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 849.1151 |
| Heavy Atoms | 59 |
| Complexity | 1580.0 |
Chemical Identifiers
| CAS Number | 3818-60-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)NC5=CC=CC=C5)S(=O)(=O)[O-])OC)N=NC6=C(C7=CC=CC=C7C(=C6)S(=O)(=O)[O-])O.[Na+].[Na+] |
| InChIKey | JCODDUJNTJDXSM-UHFFFAOYSA-L |
Product Overview
Direct Blue 168 (CAS 3818-60-8), with molecular formula C40H29N5Na2O10S2 and molecular weight 849.12 g/mol. IUPAC: disodium;7-anilino-4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2-sulfonate.
Chemical Property Profile of Direct Blue 168
Property Insights of Direct Blue 168
The XLogP value of 3.479 indicates that Direct Blue 168 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 252.0 Ų indicates high polarity, suggesting Direct Blue 168 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Blue 168 has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Direct Blue 168?
The CAS number of Direct Blue 168 is 3818-60-8.
What is the molecular formula of Direct Blue 168?
The molecular formula of Direct Blue 168 is C40H29N5Na2O10S2.
What is the molecular weight of Direct Blue 168?
The molecular weight of Direct Blue 168 is 849.12 g/mol.
Where can I buy Direct Blue 168?
You can request a quote for Direct Blue 168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Direct Blue 168?
Yes, KEHONG BIO provides custom synthesis services for Direct Blue 168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.