ChemDiv1_022599
TL;DR: ChemDiv1_022599 (CAS 336175-29-2) is a chemical compound with molecular formula C21H21NO6S3 and molecular weight 479.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1-acetyl-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_022599, DivK1c_003863, CDS1_002823, BAS 01094963, dimethyl 2-(1-acetyl-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C21H21NO6S3 |
|---|---|
| Molecular Weight | 479.05 g/mol |
| LogP | 3.9164 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 479.0531 |
| Heavy Atoms | 31 |
| Complexity | 1042.8734 |
Chemical Identifiers
| CAS Number | 336175-29-2 |
|---|---|
| SMILES | CC(=O)N1C2=C(C=C(C=C2)OC)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C |
Product Overview
ChemDiv1_022599 (CAS 336175-29-2), with molecular formula C21H21NO6S3 and molecular weight 479.05 g/mol. IUPAC: dimethyl 2-(1-acetyl-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_022599
Property Insights of ChemDiv1_022599
The XLogP value of 3.9164 indicates that ChemDiv1_022599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022599. Following Lipinski's Rule of Five, ChemDiv1_022599 has 0 hydrogen bond donor(s) and 9 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_022599?
The CAS number of ChemDiv1_022599 is 336175-29-2.
What is the molecular formula of ChemDiv1_022599?
The molecular formula of ChemDiv1_022599 is C21H21NO6S3.
What is the molecular weight of ChemDiv1_022599?
The molecular weight of ChemDiv1_022599 is 479.05 g/mol.
Where can I buy ChemDiv1_022599?
You can request a quote for ChemDiv1_022599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022599?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.