BAS 13119576
TL;DR: BAS 13119576 (CAS 258267-21-9) is a chemical compound with molecular formula C27H23NS3 and molecular weight 457.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,5-diphenyl-1,3-dithiol-2-ylidene)-2,2,6-trimethyl-1H-quinoline-3-thione
Also Known As: BAS 13119576, 4-(4,5-diphenyl-1,3-dithiol-2-ylidene)-2,2,6-trimethyl-1,4-dihydroquinoline-3(2H)-thione, 4-(4,5-diphenyl(1,3-dithiolen-2-ylidene))-2,2,6-trimethyl-1,2-dihydroquinoline -3-thione, 4-(4,5-diphenyl-1,3-dithiol-2-ylidene)-2,2,6-trimethyl-1,2-dihydroquinoline-3(4H)-thione, 4-(4,5-diphenyl-1,3-dithiol-2-ylidene)-2,2,6-trimethyl-1H-quinoline-3-thione
| Molecular Formula | C27H23NS3 |
|---|---|
| Molecular Weight | 457.10 g/mol |
| LogP | 8.24362 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 457.09927 |
| Heavy Atoms | 31 |
| Complexity | 1184.4879 |
Chemical Identifiers
| CAS Number | 258267-21-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(C(=S)C2=C3SC(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5)(C)C |
Product Overview
BAS 13119576 (CAS 258267-21-9), with molecular formula C27H23NS3 and molecular weight 457.10 g/mol. IUPAC: 4-(4,5-diphenyl-1,3-dithiol-2-ylidene)-2,2,6-trimethyl-1H-quinoline-3-thione.
Chemical Property Profile of BAS 13119576
Property Insights of BAS 13119576
The XLogP value of 8.24362 indicates that BAS 13119576 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, BAS 13119576 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13119576 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 13119576?
The CAS number of BAS 13119576 is 258267-21-9.
What is the molecular formula of BAS 13119576?
The molecular formula of BAS 13119576 is C27H23NS3.
What is the molecular weight of BAS 13119576?
The molecular weight of BAS 13119576 is 457.10 g/mol.
Where can I buy BAS 13119576?
You can request a quote for BAS 13119576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13119576?
Yes, KEHONG BIO provides custom synthesis services for BAS 13119576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.