BIM-0049353.P001
TL;DR: BIM-0049353.P001 (CAS 371204-19-2) is a chemical compound with molecular formula C21H23NO4S3 and molecular weight 449.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2,2-dimethyl-1-propyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: BIM-0049353.P001, dimethyl 2-(2,2-dimethyl-1-propyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-(2,2-DIMETHYL-1-PROPYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-(2,2-dimethyl-1-propyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(2,2-dimethyl-1-propyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C21H23NO4S3 |
|---|---|
| Molecular Weight | 449.08 g/mol |
| LogP | 4.7713 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.07892 |
| Heavy Atoms | 29 |
| Complexity | 918.9995 |
Chemical Identifiers
| CAS Number | 371204-19-2 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C |
Product Overview
BIM-0049353.P001 (CAS 371204-19-2), with molecular formula C21H23NO4S3 and molecular weight 449.08 g/mol. IUPAC: dimethyl 2-(2,2-dimethyl-1-propyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BIM-0049353.P001
Property Insights of BIM-0049353.P001
The XLogP value of 4.7713 indicates that BIM-0049353.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, BIM-0049353.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0049353.P001 has 0 hydrogen bond donor(s) and 8 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 BIM-0049353.P001?
The CAS number of BIM-0049353.P001 is 371204-19-2.
What is the molecular formula of BIM-0049353.P001?
The molecular formula of BIM-0049353.P001 is C21H23NO4S3.
What is the molecular weight of BIM-0049353.P001?
The molecular weight of BIM-0049353.P001 is 449.08 g/mol.
Where can I buy BIM-0049353.P001?
You can request a quote for BIM-0049353.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0049353.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0049353.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.