RefChem:117995
TL;DR: RefChem:117995 (CAS 68959-29-5) is a chemical compound with molecular formula C18H11ClN4Na2O4S and molecular weight 460.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-chloro-3-[[4-[(4-oxidophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 4-chloro-3-((4-((4-hydroxyphenyl)azo)phenyl)azo)-, disodium salt, Benzenesulfonic acid, 4-chloro-3-(2-(4-(2-(4-hydroxyphenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:2), Benzenesulfonic acid, 4-chloro-3-[[4-[(4-hydroxyphenyl)azo]phenyl]azo]-, disodium salt, Benzenesulfonic acid, 4-chloro-3-[2-[4-[2-(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:2), 4-Chloro-3-[[4-[[4-(sodiooxy)phenyl]azo]phenyl]azo]benzenesulfonic acid sodium salt
| Molecular Formula | C18H11ClN4Na2O4S |
|---|---|
| Molecular Weight | 460.00 g/mol |
| LogP | -0.84 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.9985 |
| Heavy Atoms | 30 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 68959-29-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=CC=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])Cl.[Na+].[Na+] |
| InChIKey | COCQEGISLAEOOX-UHFFFAOYSA-L |
Product Overview
RefChem:117995 (CAS 68959-29-5), with molecular formula C18H11ClN4Na2O4S and molecular weight 460.00 g/mol. IUPAC: disodium;4-chloro-3-[[4-[(4-oxidophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate.
Chemical Property Profile of RefChem:117995
Property Insights of RefChem:117995
The XLogP value of -0.84 indicates that RefChem:117995 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:117995. Following Lipinski's Rule of Five, RefChem:117995 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117995?
The CAS number of RefChem:117995 is 68959-29-5.
What is the molecular formula of RefChem:117995?
The molecular formula of RefChem:117995 is C18H11ClN4Na2O4S.
What is the molecular weight of RefChem:117995?
The molecular weight of RefChem:117995 is 460.00 g/mol.
Where can I buy RefChem:117995?
You can request a quote for RefChem:117995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117995?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.