BAS 00458934
TL;DR: BAS 00458934 (CAS 331676-61-0) is a chemical compound with molecular formula C18H14Cl2N2S2 and molecular weight 392.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
Also Known As: BAS 00458934, 2-(3,4-dichlorophenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione, 2-(3,4-dichlorophenyl)-4,4-dimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione, 2-(3,4-dichlorophenyl)-4,4-dimethyl-4,5-dihydro[1,2]thiazolo[5,4-c]quinoline-1(2H)-thione
| Molecular Formula | C18H14Cl2N2S2 |
|---|---|
| Molecular Weight | 392.00 g/mol |
| LogP | 6.90269 |
| Topological Polar Surface Area | 16.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 391.99756 |
| Heavy Atoms | 24 |
| Complexity | 1018.0985 |
Chemical Identifiers
| CAS Number | 331676-61-0 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1)C(=S)N(S2)C4=CC(=C(C=C4)Cl)Cl)C |
Product Overview
BAS 00458934 (CAS 331676-61-0), with molecular formula C18H14Cl2N2S2 and molecular weight 392.00 g/mol. IUPAC: 2-(3,4-dichlorophenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione.
Chemical Property Profile of BAS 00458934
Property Insights of BAS 00458934
The XLogP value of 6.90269 indicates that BAS 00458934 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 16.96 Ų, BAS 00458934 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00458934 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00458934?
The CAS number of BAS 00458934 is 331676-61-0.
What is the molecular formula of BAS 00458934?
The molecular formula of BAS 00458934 is C18H14Cl2N2S2.
What is the molecular weight of BAS 00458934?
The molecular weight of BAS 00458934 is 392.00 g/mol.
Where can I buy BAS 00458934?
You can request a quote for BAS 00458934 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458934?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458934 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.