ChemDiv1_022539
TL;DR: ChemDiv1_022539 (CAS 301655-55-0) is a chemical compound with molecular formula C20H16N2O4S3 and molecular weight 444.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-nitrophenyl)methanone
Also Known As: ChemDiv1_022539, DivK1c_003803, CDS1_002763, BAS 00126824, 5-{3-nitrobenzoyl}-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
| Molecular Formula | C20H16N2O4S3 |
|---|---|
| Molecular Weight | 444.03 g/mol |
| LogP | 6.01839 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.02722 |
| Heavy Atoms | 29 |
| Complexity | 1212.4305 |
Chemical Identifiers
| CAS Number | 301655-55-0 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
ChemDiv1_022539 (CAS 301655-55-0), with molecular formula C20H16N2O4S3 and molecular weight 444.03 g/mol. IUPAC: (8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-nitrophenyl)methanone.
Chemical Property Profile of ChemDiv1_022539
Property Insights of ChemDiv1_022539
The XLogP value of 6.01839 indicates that ChemDiv1_022539 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_022539. Following Lipinski's Rule of Five, ChemDiv1_022539 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_022539?
The CAS number of ChemDiv1_022539 is 301655-55-0.
What is the molecular formula of ChemDiv1_022539?
The molecular formula of ChemDiv1_022539 is C20H16N2O4S3.
What is the molecular weight of ChemDiv1_022539?
The molecular weight of ChemDiv1_022539 is 444.03 g/mol.
Where can I buy ChemDiv1_022539?
You can request a quote for ChemDiv1_022539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022539?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.