ChemDiv1_022845
TL;DR: ChemDiv1_022845 (CAS 301655-54-9) 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)-(4-nitrophenyl)methanone
Also Known As: ChemDiv1_022845, DivK1c_004109, CDS1_003069, BAS 00351264, (8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-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 | 1211.7346 |
Chemical Identifiers
| CAS Number | 301655-54-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_022845 (CAS 301655-54-9), 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)-(4-nitrophenyl)methanone.
Chemical Property Profile of ChemDiv1_022845
Property Insights of ChemDiv1_022845
The XLogP value of 6.40849 indicates that ChemDiv1_022845 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_022845. Following Lipinski's Rule of Five, ChemDiv1_022845 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_022845?
The CAS number of ChemDiv1_022845 is 301655-54-9.
What is the molecular formula of ChemDiv1_022845?
The molecular formula of ChemDiv1_022845 is C21H18N2O4S3.
What is the molecular weight of ChemDiv1_022845?
The molecular weight of ChemDiv1_022845 is 458.04 g/mol.
Where can I buy ChemDiv1_022845?
You can request a quote for ChemDiv1_022845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022845?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.