ChemDiv1_022583
TL;DR: ChemDiv1_022583 (CAS 301655-56-1) is a chemical compound with molecular formula C21H18N2O4S3 and molecular weight 458.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-nitrophenyl)methanone
Also Known As: ChemDiv1_022583, DivK1c_003847, CDS1_002807, BAS 00126825, (8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-nitrophenyl)methanone
| Molecular Formula | C21H18N2O4S3 |
|---|---|
| Molecular Weight | 458.04 g/mol |
| LogP | 6.40849 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.04288 |
| Heavy Atoms | 30 |
| Complexity | 1228.9846 |
Chemical Identifiers
| CAS Number | 301655-56-1 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_022583 (CAS 301655-56-1), with molecular formula C21H18N2O4S3 and molecular weight 458.04 g/mol. IUPAC: (8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-nitrophenyl)methanone.
Chemical Property Profile of ChemDiv1_022583
Property Insights of ChemDiv1_022583
The XLogP value of 6.40849 indicates that ChemDiv1_022583 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022583. Following Lipinski's Rule of Five, ChemDiv1_022583 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022583?
The CAS number of ChemDiv1_022583 is 301655-56-1.
What is the molecular formula of ChemDiv1_022583?
The molecular formula of ChemDiv1_022583 is C21H18N2O4S3.
What is the molecular weight of ChemDiv1_022583?
The molecular weight of ChemDiv1_022583 is 458.04 g/mol.
Where can I buy ChemDiv1_022583?
You can request a quote for ChemDiv1_022583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022583?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.