RefChem:118481
TL;DR: RefChem:118481 (CAS 68092-52-4) is a chemical compound with molecular formula C31H23N5Na2O7S and molecular weight 655.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-[[4-[4-[(7-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoate
Also Known As: 2-Naphthalenesulfonic acid, 3-((4'-((4-hydroxy-3-benzoic acid)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-6-amino-4-hydroxy-, disodium salt, Benzoic acid, 5-((4'-((2-amino-8-hydroxy-6-sulfo-7-naphthalenyl)azo)(3,3'-dimethyl(1,1'-biphenyl))-4-yl)azo)-2-hydroxy-, disodium salt, Benzoic acid, 5-((4'-((7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, disodium salt, Benzoic acid, 5-(2-(4'-(2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:2), Benzoic acid, 5-[2-[4'-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:2)
| Molecular Formula | C31H23N5Na2O7S |
|---|---|
| Molecular Weight | 655.11 g/mol |
| LogP | 0.22344 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 655.1113 |
| Heavy Atoms | 46 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 68092-52-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=CC(=CC4=C3O)N)S(=O)(=O)[O-])C)N=NC5=CC(=C(C=C5)O)C(=O)[O-].[Na+].[Na+] |
| InChIKey | DFXHTVFWBQQHQC-UHFFFAOYSA-L |
Product Overview
RefChem:118481 (CAS 68092-52-4), with molecular formula C31H23N5Na2O7S and molecular weight 655.11 g/mol. IUPAC: disodium;5-[[4-[4-[(7-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoate.
Chemical Property Profile of RefChem:118481
Property Insights of RefChem:118481
The XLogP value of 0.22344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118481. The TPSA of 222.0 Ų indicates high polarity, suggesting RefChem:118481 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118481 has 3 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 RefChem:118481?
The CAS number of RefChem:118481 is 68092-52-4.
What is the molecular formula of RefChem:118481?
The molecular formula of RefChem:118481 is C31H23N5Na2O7S.
What is the molecular weight of RefChem:118481?
The molecular weight of RefChem:118481 is 655.11 g/mol.
Where can I buy RefChem:118481?
You can request a quote for RefChem:118481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118481?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.