RefChem:117816
TL;DR: RefChem:117816 (CAS 75627-29-1) is a chemical compound with molecular formula C25H19KN4O8S2 and molecular weight 606.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium 2-[4-[[4-(benzenesulfonyloxy)-3-methylphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate
Also Known As: 2-((4-((3-Methyl-4-((phenylsulfonyl)oxy)phenyl)azo)phenyl)amino)-5-nitrobenzenesulfonic acid, potassium salt, Benzenesulfonic acid, 2-((4-(2-(3-methyl-4-((phenylsulfonyl)oxy)phenyl)diazenyl)phenyl)amino)-5-nitro-, potassium salt (1:1), Benzenesulfonic acid, 2-((4-((3-methyl-4-((phenylsulfonyl)oxy)phenyl)azo)phenyl)amino)-5-nitro-, monopotassium salt, Benzenesulfonic acid, 2-[[4-[[3-methyl-4-[(phenylsulfonyl)oxy]phenyl]azo]phenyl]amino]-5-nitro-, monopotassium salt, Benzenesulfonic acid, 2-[[4-[2-[3-methyl-4-[(phenylsulfonyl)oxy]phenyl]diazenyl]phenyl]amino]-5-nitro-, potassium salt (1:1)
| Molecular Formula | C25H19KN4O8S2 |
|---|---|
| Molecular Weight | 606.03 g/mol |
| LogP | 2.73802 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 606.02814 |
| Heavy Atoms | 40 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 75627-29-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)[O-])OS(=O)(=O)C4=CC=CC=C4.[K+] |
| InChIKey | XDIWVBKEYVBFLN-UHFFFAOYSA-M |
Product Overview
RefChem:117816 (CAS 75627-29-1), with molecular formula C25H19KN4O8S2 and molecular weight 606.03 g/mol. IUPAC: potassium 2-[4-[[4-(benzenesulfonyloxy)-3-methylphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate.
Chemical Property Profile of RefChem:117816
Property Insights of RefChem:117816
The XLogP value of 2.73802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117816. The TPSA of 200.0 Ų indicates high polarity, suggesting RefChem:117816 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117816 has 1 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:117816?
The CAS number of RefChem:117816 is 75627-29-1.
What is the molecular formula of RefChem:117816?
The molecular formula of RefChem:117816 is C25H19KN4O8S2.
What is the molecular weight of RefChem:117816?
The molecular weight of RefChem:117816 is 606.03 g/mol.
Where can I buy RefChem:117816?
You can request a quote for RefChem:117816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117816?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.