BAS 01173649
TL;DR: BAS 01173649 (CAS 351224-80-1) is a chemical compound with molecular formula C23H23NO5S3 and molecular weight 489.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-[(E)-but-2-enoyl]-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 01173649, dimethyl 2-(1-(2-butenoyl)-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, (E)-dimethyl 2-(1-(but-2-enoyl)-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-{1-[(2E)-BUT-2-ENOYL]-2,2,6-TRIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE}-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-[1-[(E)-but-2-enoyl]-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C23H23NO5S3 |
|---|---|
| Molecular Weight | 489.07 g/mol |
| LogP | 4.77242 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 489.07382 |
| Heavy Atoms | 32 |
| Complexity | 1100.441 |
Chemical Identifiers
| CAS Number | 351224-80-1 |
|---|---|
| SMILES | C/C=C/C(=O)N1C2=C(C=C(C=C2)C)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C |
Product Overview
BAS 01173649 (CAS 351224-80-1), with molecular formula C23H23NO5S3 and molecular weight 489.07 g/mol. IUPAC: dimethyl 2-[1-[(E)-but-2-enoyl]-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 01173649
Property Insights of BAS 01173649
The XLogP value of 4.77242 indicates that BAS 01173649 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01173649. Following Lipinski's Rule of Five, BAS 01173649 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 BAS 01173649?
The CAS number of BAS 01173649 is 351224-80-1.
What is the molecular formula of BAS 01173649?
The molecular formula of BAS 01173649 is C23H23NO5S3.
What is the molecular weight of BAS 01173649?
The molecular weight of BAS 01173649 is 489.07 g/mol.
Where can I buy BAS 01173649?
You can request a quote for BAS 01173649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01173649?
Yes, KEHONG BIO provides custom synthesis services for BAS 01173649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.