ChemDiv1_022561
TL;DR: ChemDiv1_022561 (CAS 351224-71-0) is a chemical compound with molecular formula C17H17NO4S3 and molecular weight 395.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoacetate
Also Known As: ChemDiv1_022561, DivK1c_003825, CDS1_002785, ethyl (8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(oxo)acetate, ethyl 2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoacetate
| Molecular Formula | C17H17NO4S3 |
|---|---|
| Molecular Weight | 395.03 g/mol |
| LogP | 4.35949 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.03198 |
| Heavy Atoms | 25 |
| Complexity | 912.85706 |
Chemical Identifiers
| CAS Number | 351224-71-0 |
|---|---|
| SMILES | CCOC(=O)C(=O)N1C2=C(C=C(C=C2)OC)C3=C(C1(C)C)SSC3=S |
Product Overview
ChemDiv1_022561 (CAS 351224-71-0), with molecular formula C17H17NO4S3 and molecular weight 395.03 g/mol. IUPAC: ethyl 2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoacetate.
Chemical Property Profile of ChemDiv1_022561
Property Insights of ChemDiv1_022561
The XLogP value of 4.35949 indicates that ChemDiv1_022561 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, ChemDiv1_022561 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022561 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022561?
The CAS number of ChemDiv1_022561 is 351224-71-0.
What is the molecular formula of ChemDiv1_022561?
The molecular formula of ChemDiv1_022561 is C17H17NO4S3.
What is the molecular weight of ChemDiv1_022561?
The molecular weight of ChemDiv1_022561 is 395.03 g/mol.
Where can I buy ChemDiv1_022561?
You can request a quote for ChemDiv1_022561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022561?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.