ChemDiv1_027955
TL;DR: ChemDiv1_027955 (CAS 304446-27-3) is a chemical compound with molecular formula C25H20FNO5S3 and molecular weight 529.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-(4-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_027955, 3-(p-Nitrobenzoyl)-indazol, BAS 00163802, (1(2)H-indazol-3-yl)-(4-nitro-phenyl)-methanone, A2194/0092288
| Molecular Formula | C25H20FNO5S3 |
|---|---|
| Molecular Weight | 529.05 g/mol |
| LogP | 5.3408 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 529.04877 |
| Heavy Atoms | 35 |
| Complexity | 1300.8676 |
Chemical Identifiers
| CAS Number | 304446-27-3 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4=CC=C(C=C4)F)C |
Product Overview
ChemDiv1_027955 (CAS 304446-27-3), with molecular formula C25H20FNO5S3 and molecular weight 529.05 g/mol. IUPAC: dimethyl 2-[1-(4-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_027955
Property Insights of ChemDiv1_027955
The XLogP value of 5.3408 indicates that ChemDiv1_027955 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027955. Following Lipinski's Rule of Five, ChemDiv1_027955 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 ChemDiv1_027955?
The CAS number of ChemDiv1_027955 is 304446-27-3.
What is the molecular formula of ChemDiv1_027955?
The molecular formula of ChemDiv1_027955 is C25H20FNO5S3.
What is the molecular weight of ChemDiv1_027955?
The molecular weight of ChemDiv1_027955 is 529.05 g/mol.
Where can I buy ChemDiv1_027955?
You can request a quote for ChemDiv1_027955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027955?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.