RefChem:566107
TL;DR: RefChem:566107 (CAS 68400-30-6) is a chemical compound with molecular formula C38H28N8O12S2 and molecular weight 852.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-[[4-[[3-hydroxy-7-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)-1-sulfonaphthalen-2-yl]diazenyl]-3-methoxy-7-sulfonaphthalen-1-yl]diazenyl]benzoic acid
Also Known As: EINECS 270-019-9, 5-((4-((7-(4,5-Dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-3-hydroxy-1-sulpho-2-naphthyl)azo)-3-methoxy-7-sulpho-1-naphthyl)azo)salicylic acid, Benzoic acid, 5-[2-[4-[2-[7-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-3-hydroxy-1-sulfo-2-naphthalenyl]diazenyl]-3-methoxy-7-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-, 2-Hydroxy-5-{[4-({3-hydroxy-7-[3-methyl-5-oxo-4-(phenyldiazenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-sulfonaphthalen-2-yl}diazenyl)-3-methoxy-7-sulfonaphthalen-1-yl]diazenyl}benzoic acid, 2-hydroxy-5-{2-[4-(2-{3-hydroxy-7-[3-methyl-5-oxo-4-(2-phenyldiazen-1-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1-sulfonaphthalen-2-yl}diazen-1-yl)-3-methoxy-7-sulfonaphthalen-1-yl]diazen-1-yl}benzoic acid
| Molecular Formula | C38H28N8O12S2 |
|---|---|
| Molecular Weight | 852.13 g/mol |
| LogP | 8.3102 |
| Topological Polar Surface Area | 302.56 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 852.12683 |
| Heavy Atoms | 60 |
| Complexity | 3139.1348 |
Chemical Identifiers
| CAS Number | 68400-30-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC4=C(C(=C(C=C4C=C3)O)N=NC5=C(C=C(C6=C5C=CC(=C6)S(=O)(=O)O)N=NC7=CC(=C(C=C7)O)C(=O)O)OC)S(=O)(=O)O |
Product Overview
RefChem:566107 (CAS 68400-30-6), with molecular formula C38H28N8O12S2 and molecular weight 852.13 g/mol. IUPAC: 2-hydroxy-5-[[4-[[3-hydroxy-7-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)-1-sulfonaphthalen-2-yl]diazenyl]-3-methoxy-7-sulfonaphthalen-1-yl]diazenyl]benzoic acid.
Chemical Property Profile of RefChem:566107
Property Insights of RefChem:566107
The XLogP value of 8.3102 indicates that RefChem:566107 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 302.56 Ų indicates high polarity, suggesting RefChem:566107 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:566107 has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:566107?
The CAS number of RefChem:566107 is 68400-30-6.
What is the molecular formula of RefChem:566107?
The molecular formula of RefChem:566107 is C38H28N8O12S2.
What is the molecular weight of RefChem:566107?
The molecular weight of RefChem:566107 is 852.13 g/mol.
Where can I buy RefChem:566107?
You can request a quote for RefChem:566107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:566107?
Yes, KEHONG BIO provides custom synthesis services for RefChem:566107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.