RefChem:101577
TL;DR: RefChem:101577 (CAS 68594-62-7) is a chemical compound with molecular formula C19H15F3N4O5S and molecular weight 468.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-acetamido-2-(trifluoromethyl)phenyl]diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonic acid
Also Known As: 2-Naphthalenesulfonic acid, 5-[[4-(acetylamino)-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxy-, 5-[[4-acetamido-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonic acid, 5-((4-Acetamido-2-(trifluoromethyl)phenyl)azo)-6-amino-4-hydroxynaphthalene-2-sulphonic acid, 2-Naphthalenesulfonic acid, 5-((4-(acetylamino)-2-(trifluoromethyl)phenyl)azo)-6-amino-4-hydroxy-, 5-((4-(Acetylamino)-2-(trifluoromethyl)phenyl)azo)-6-amino-4-hydroxy-2-naphthalenesulfonic acid
| Molecular Formula | C19H15F3N4O5S |
|---|---|
| Molecular Weight | 468.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.07153 |
| Heavy Atoms | 32 |
| Complexity | 819.0 |
Chemical Identifiers
| CAS Number | 68594-62-7 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)O)S(=O)(=O)O)N)C(F)(F)F |
| InChIKey | WZMFZOXPBUCMPA-UHFFFAOYSA-N |
Product Overview
RefChem:101577 (CAS 68594-62-7), with molecular formula C19H15F3N4O5S and molecular weight 468.07 g/mol. IUPAC: 5-[[4-acetamido-2-(trifluoromethyl)phenyl]diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonic acid.
Chemical Property Profile of RefChem:101577
Property Insights of RefChem:101577
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:101577. The TPSA of 163.0 Ų indicates high polarity, suggesting RefChem:101577 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:101577 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:101577?
The CAS number of RefChem:101577 is 68594-62-7.
What is the molecular formula of RefChem:101577?
The molecular formula of RefChem:101577 is C19H15F3N4O5S.
What is the molecular weight of RefChem:101577?
The molecular weight of RefChem:101577 is 468.07 g/mol.
Where can I buy RefChem:101577?
You can request a quote for RefChem:101577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:101577?
Yes, KEHONG BIO provides custom synthesis services for RefChem:101577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.