RefChem:564411
TL;DR: RefChem:564411 (CAS 63148-77-6) is a chemical compound with molecular formula C21H24N4O8S3 and molecular weight 556.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(tert-butylsulfamoyl)-4-hydroxy-8-(methanesulfonamido)naphthalen-1-yl]diazenyl]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-((3-(((1,1-dimethylethyl)amino)sulfonyl)-4-hydroxy-8-((methylsulfonyl)amino)-1-naphthalenyl)azo)-, Benzenesulfonic acid, 4-[[3-[[(1,1-dimethylethyl)amino]sulfonyl]-4-hydroxy-8-[(methylsulfonyl)amino]-1-naphthalenyl]azo]-, 4-(2-(3-(((1,1-Dimethylethyl)amino)sulfonyl)-4-hydroxy-8-((methylsulfonyl)amino)-1-naphthalenyl)diazenyl)benzenesulfonic acid, Benzenesulfonic acid, 4-(2-(3-(((1,1-dimethylethyl)amino)sulfonyl)-4-hydroxy-8-((methylsulfonyl)amino)-1-naphthalenyl)diazenyl)-, Benzenesulfonic acid,4-[2-[3-[[(1,1-dimethylethyl)amino]sulfonyl]-4-hydroxy-8-[(methylsulfonyl)amino]-1-naphthalenyl]diazenyl]-
| Molecular Formula | C21H24N4O8S3 |
|---|---|
| Molecular Weight | 556.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 556.0756 |
| Heavy Atoms | 36 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 63148-77-6 |
|---|---|
| SMILES | CC(C)(C)NS(=O)(=O)C1=C(C2=C(C(=CC=C2)NS(=O)(=O)C)C(=C1)N=NC3=CC=C(C=C3)S(=O)(=O)O)O |
| InChIKey | XFRJLKYCTFMGRC-UHFFFAOYSA-N |
Product Overview
RefChem:564411 (CAS 63148-77-6), with molecular formula C21H24N4O8S3 and molecular weight 556.08 g/mol. IUPAC: 4-[[3-(tert-butylsulfamoyl)-4-hydroxy-8-(methanesulfonamido)naphthalen-1-yl]diazenyl]benzenesulfonic acid.
Chemical Property Profile of RefChem:564411
Property Insights of RefChem:564411
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:564411. The TPSA of 217.0 Ų indicates high polarity, suggesting RefChem:564411 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564411 has 4 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:564411?
The CAS number of RefChem:564411 is 63148-77-6.
What is the molecular formula of RefChem:564411?
The molecular formula of RefChem:564411 is C21H24N4O8S3.
What is the molecular weight of RefChem:564411?
The molecular weight of RefChem:564411 is 556.08 g/mol.
Where can I buy RefChem:564411?
You can request a quote for RefChem:564411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564411?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.