BAS 00501768
TL;DR: BAS 00501768 (CAS 355810-23-0) is a chemical compound with molecular formula C27H27NO3S3 and molecular weight 509.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: BAS 00501768, ethyl (2Z)-2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate, (Z)-ethyl 2-(1-isobutyryl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-(1-isobutyryl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
| Molecular Formula | C27H27NO3S3 |
|---|---|
| Molecular Weight | 509.12 g/mol |
| LogP | 6.9182 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.1153 |
| Heavy Atoms | 34 |
| Complexity | 1228.6913 |
Chemical Identifiers
| CAS Number | 355810-23-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(S/C(=C/2\C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)C(C)C)/S1)C4=CC=CC=C4 |
Product Overview
BAS 00501768 (CAS 355810-23-0), with molecular formula C27H27NO3S3 and molecular weight 509.12 g/mol. IUPAC: ethyl (2Z)-2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 00501768
Property Insights of BAS 00501768
The XLogP value of 6.9182 indicates that BAS 00501768 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, BAS 00501768 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00501768 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00501768?
The CAS number of BAS 00501768 is 355810-23-0.
What is the molecular formula of BAS 00501768?
The molecular formula of BAS 00501768 is C27H27NO3S3.
What is the molecular weight of BAS 00501768?
The molecular weight of BAS 00501768 is 509.12 g/mol.
Where can I buy BAS 00501768?
You can request a quote for BAS 00501768 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00501768?
Yes, KEHONG BIO provides custom synthesis services for BAS 00501768 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.