RefChem:399086
TL;DR: RefChem:399086 (CAS 624723-91-7) is a chemical compound with molecular formula C27H16N6O4S and molecular weight 520.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Also Known As: (2Z)-2-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, (2Z)-2-((3-(4-Nitrophenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-6-phenyl-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione, (2Z)-2-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione, (2Z)-2-{[3-(4-NITROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLIDENE}-6-PHENYL-2H,3H,7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZINE-3,7-DIONE, (2Z)-2-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
| Molecular Formula | C27H16N6O4S |
|---|---|
| Molecular Weight | 520.10 g/mol |
| LogP | 3.4868 |
| Topological Polar Surface Area | 125.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 520.0954 |
| Heavy Atoms | 38 |
| Complexity | 1981.8628 |
Chemical Identifiers
| CAS Number | 624723-91-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CN(N=C4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6)/SC3=NC2=O |
Product Overview
RefChem:399086 (CAS 624723-91-7), with molecular formula C27H16N6O4S and molecular weight 520.10 g/mol. IUPAC: (2Z)-2-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
Chemical Property Profile of RefChem:399086
Property Insights of RefChem:399086
The XLogP value of 3.4868 indicates that RefChem:399086 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.29 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:399086. Following Lipinski's Rule of Five, RefChem:399086 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:399086?
The CAS number of RefChem:399086 is 624723-91-7.
What is the molecular formula of RefChem:399086?
The molecular formula of RefChem:399086 is C27H16N6O4S.
What is the molecular weight of RefChem:399086?
The molecular weight of RefChem:399086 is 520.10 g/mol.
Where can I buy RefChem:399086?
You can request a quote for RefChem:399086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:399086?
Yes, KEHONG BIO provides custom synthesis services for RefChem:399086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.