BAS 00619883
TL;DR: BAS 00619883 (CAS 331840-90-5) is a chemical compound with molecular formula C42H35NO2S3 and molecular weight 681.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(2,2-dimethyl-3-sulfanylidene-6-trityl-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: BAS 00619883, ethyl (2Z)-2-(2,2-dimethyl-3-sulfanylidene-6-trityl-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl 2-(2,2-dimethyl-3-thioxo-6-trityl-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-(2,2-dimethyl-3-thioxo-6-trityl-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, (Z)-ethyl 2-(2,2-dimethyl-3-thioxo-6-trityl-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
| Molecular Formula | C42H35NO2S3 |
|---|---|
| Molecular Weight | 681.18 g/mol |
| LogP | 10.7238 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 681.183 |
| Heavy Atoms | 48 |
| Complexity | 1957.5054 |
Chemical Identifiers
| CAS Number | 331840-90-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(S/C(=C/2\C3=C(C=CC(=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NC(C2=S)(C)C)/S1)C7=CC=CC=C7 |
Product Overview
BAS 00619883 (CAS 331840-90-5), with molecular formula C42H35NO2S3 and molecular weight 681.18 g/mol. IUPAC: ethyl (2Z)-2-(2,2-dimethyl-3-sulfanylidene-6-trityl-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 00619883
Property Insights of BAS 00619883
The XLogP value of 10.7238 indicates that BAS 00619883 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, BAS 00619883 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00619883 has 1 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 00619883?
The CAS number of BAS 00619883 is 331840-90-5.
What is the molecular formula of BAS 00619883?
The molecular formula of BAS 00619883 is C42H35NO2S3.
What is the molecular weight of BAS 00619883?
The molecular weight of BAS 00619883 is 681.18 g/mol.
Where can I buy BAS 00619883?
You can request a quote for BAS 00619883 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619883?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.