RefChem:72886
TL;DR: RefChem:72886 (CAS 68555-82-8) is a chemical compound with molecular formula C54H86N6O7S2 and molecular weight 994.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-ethyl-N-(2-ethylhexyl)hexan-1-amine);7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfonic acid
Also Known As: 1-((4-(Phenylazo)phenyl)azo)-2-hydroxy-6,8-naphthalenedisulfonic acid, di(2-ethylhexyl)ammonium salt (1:2), 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-(4-(2-phenyldiazenyl)phenyl)diazenyl)-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:2), 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-(phenylazo)phenyl)azo)-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:2), 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[[4-(phenylazo)phenyl]azo]-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:2), 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:2)
| Molecular Formula | C54H86N6O7S2 |
|---|---|
| Molecular Weight | 994.60 g/mol |
| LogP | 15.8872 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 30 |
| Exact Mass | 994.5999 |
| Heavy Atoms | 69 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 68555-82-8 |
|---|---|
| SMILES | CCCCC(CC)CNCC(CC)CCCC.CCCCC(CC)CNCC(CC)CCCC.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 | ZJFOUZIIDOBDTH-UHFFFAOYSA-N |
Product Overview
RefChem:72886 (CAS 68555-82-8), with molecular formula C54H86N6O7S2 and molecular weight 994.60 g/mol. IUPAC: bis(2-ethyl-N-(2-ethylhexyl)hexan-1-amine);7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfonic acid.
Chemical Property Profile of RefChem:72886
Property Insights of RefChem:72886
The XLogP value of 15.8872 indicates that RefChem:72886 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 219.0 Ų indicates high polarity, suggesting RefChem:72886 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:72886 has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:72886?
The CAS number of RefChem:72886 is 68555-82-8.
What is the molecular formula of RefChem:72886?
The molecular formula of RefChem:72886 is C54H86N6O7S2.
What is the molecular weight of RefChem:72886?
The molecular weight of RefChem:72886 is 994.60 g/mol.
Where can I buy RefChem:72886?
You can request a quote for RefChem:72886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72886?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.