BAS 00501770
TL;DR: BAS 00501770 (CAS 350994-84-2) is a chemical compound with molecular formula C31H27NO4S3 and molecular weight 573.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: BAS 00501770, ethyl (2Z)-2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-[7-methoxy-2,2-dimethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate, (Z)-ethyl 2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
| Molecular Formula | C31H27NO4S3 |
|---|---|
| Molecular Weight | 573.11 g/mol |
| LogP | 7.5846 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 573.1102 |
| Heavy Atoms | 39 |
| Complexity | 1527.8936 |
Chemical Identifiers
| CAS Number | 350994-84-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(S/C(=C/2\C3=C(C=C(C=C3)OC)N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4)/S1)C5=CC=CC=C5 |
Product Overview
BAS 00501770 (CAS 350994-84-2), with molecular formula C31H27NO4S3 and molecular weight 573.11 g/mol. IUPAC: ethyl (2Z)-2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 00501770
Property Insights of BAS 00501770
The XLogP value of 7.5846 indicates that BAS 00501770 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, BAS 00501770 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00501770 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00501770?
The CAS number of BAS 00501770 is 350994-84-2.
What is the molecular formula of BAS 00501770?
The molecular formula of BAS 00501770 is C31H27NO4S3.
What is the molecular weight of BAS 00501770?
The molecular weight of BAS 00501770 is 573.11 g/mol.
Where can I buy BAS 00501770?
You can request a quote for BAS 00501770 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00501770?
Yes, KEHONG BIO provides custom synthesis services for BAS 00501770 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.