BAS 01306852
TL;DR: BAS 01306852 (CAS 309291-45-0) is a chemical compound with molecular formula C23H21NOS3 and molecular weight 423.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2Z)-5-phenyl-2-(2,2,6-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiol-4-yl]ethanone
Also Known As: BAS 01306852, 1-[5-phenyl-2-(2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiol-4-yl]ethanone, A2170/0091173, 1-[(2Z)-5-phenyl-2-(2,2,6-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiol-4-yl]ethanone, (Z)-1-(5-phenyl-2-(2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiol-4-yl)ethanone
| Molecular Formula | C23H21NOS3 |
|---|---|
| Molecular Weight | 423.08 g/mol |
| LogP | 6.67542 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 423.07852 |
| Heavy Atoms | 28 |
| Complexity | 1064.51 |
Chemical Identifiers
| CAS Number | 309291-45-0 |
|---|---|
| SMILES | CC1=CC\2=C(C=C1)NC(C(=S)/C2=C\3/SC(=C(S3)C(=O)C)C4=CC=CC=C4)(C)C |
Product Overview
BAS 01306852 (CAS 309291-45-0), with molecular formula C23H21NOS3 and molecular weight 423.08 g/mol. IUPAC: 1-[(2Z)-5-phenyl-2-(2,2,6-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiol-4-yl]ethanone.
Chemical Property Profile of BAS 01306852
Property Insights of BAS 01306852
The XLogP value of 6.67542 indicates that BAS 01306852 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, BAS 01306852 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01306852 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01306852?
The CAS number of BAS 01306852 is 309291-45-0.
What is the molecular formula of BAS 01306852?
The molecular formula of BAS 01306852 is C23H21NOS3.
What is the molecular weight of BAS 01306852?
The molecular weight of BAS 01306852 is 423.08 g/mol.
Where can I buy BAS 01306852?
You can request a quote for BAS 01306852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01306852?
Yes, KEHONG BIO provides custom synthesis services for BAS 01306852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.