BAS 00268386
TL;DR: BAS 00268386 (CAS 258268-26-7) is a chemical compound with molecular formula C22H19NO2S3 and molecular weight 425.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: BAS 00268386, methyl 2-(2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate, methyl (2E)-2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, (E)-methyl 2-(2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, methyl (2E)-2-(2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
| Molecular Formula | C22H19NO2S3 |
|---|---|
| Molecular Weight | 425.06 g/mol |
| LogP | 5.951 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 425.0578 |
| Heavy Atoms | 28 |
| Complexity | 1038.7572 |
Chemical Identifiers
| CAS Number | 258268-26-7 |
|---|---|
| SMILES | CC1(C(=S)/C(=C/2\SC(=C(S2)C(=O)OC)C3=CC=CC=C3)/C4=CC=CC=C4N1)C |
Product Overview
BAS 00268386 (CAS 258268-26-7), with molecular formula C22H19NO2S3 and molecular weight 425.06 g/mol. IUPAC: methyl (2E)-2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 00268386
Property Insights of BAS 00268386
The XLogP value of 5.951 indicates that BAS 00268386 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 00268386 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00268386 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 00268386?
The CAS number of BAS 00268386 is 258268-26-7.
What is the molecular formula of BAS 00268386?
The molecular formula of BAS 00268386 is C22H19NO2S3.
What is the molecular weight of BAS 00268386?
The molecular weight of BAS 00268386 is 425.06 g/mol.
Where can I buy BAS 00268386?
You can request a quote for BAS 00268386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00268386?
Yes, KEHONG BIO provides custom synthesis services for BAS 00268386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.