RefChem:411698
TL;DR: RefChem:411698 (CAS 59312-61-7) is a chemical compound with molecular formula C20H16N4O5S and molecular weight 424.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinyl)diazenyl]phenyl] benzenesulfonate
Also Known As: C.I.Disperse Yellow 114, D.I.Disperse Yellow 114, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulphonyl)oxy]phenyl]azo]nicotinonitrile, J2.700.462H, 1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-((3-((phenylsulfonyl)oxy)phenyl)azo)-3-pyridinecarbonitrile
| Molecular Formula | C20H16N4O5S |
|---|---|
| Molecular Weight | 424.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.08414 |
| Heavy Atoms | 30 |
| Complexity | 932.0 |
Chemical Identifiers
| CAS Number | 59312-61-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3 |
| InChIKey | NNRSGUGASARXPY-UHFFFAOYSA-N |
Product Overview
RefChem:411698 (CAS 59312-61-7), with molecular formula C20H16N4O5S and molecular weight 424.08 g/mol. IUPAC: [3-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinyl)diazenyl]phenyl] benzenesulfonate.
Chemical Property Profile of RefChem:411698
Property Insights of RefChem:411698
The XLogP value of 3.2 indicates that RefChem:411698 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting RefChem:411698 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:411698 has 1 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:411698?
The CAS number of RefChem:411698 is 59312-61-7.
What is the molecular formula of RefChem:411698?
The molecular formula of RefChem:411698 is C20H16N4O5S.
What is the molecular weight of RefChem:411698?
The molecular weight of RefChem:411698 is 424.08 g/mol.
Where can I buy RefChem:411698?
You can request a quote for RefChem:411698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:411698?
Yes, KEHONG BIO provides custom synthesis services for RefChem:411698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.