BAS 00757588
TL;DR: BAS 00757588 (CAS 333340-29-7) is a chemical compound with molecular formula C21H22N2O2S2 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-4,4,8-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
Also Known As: BAS 00757588, 2-(3,4-dimethoxyphenyl)-4,4,8-trimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione, 2-(3,4-dimethoxyphenyl)-4,4,8-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione, 2-(3,4-dimethoxyphenyl)-4,4,8-trimethyl-4,5-dihydro[1,2]thiazolo[5,4-c]quinoline-1(2H)-thione
| Molecular Formula | C21H22N2O2S2 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 5.92151 |
| Topological Polar Surface Area | 35.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.11227 |
| Heavy Atoms | 27 |
| Complexity | 1096.0464 |
Chemical Identifiers
| CAS Number | 333340-29-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(C3=C2C(=S)N(S3)C4=CC(=C(C=C4)OC)OC)(C)C |
Product Overview
BAS 00757588 (CAS 333340-29-7), with molecular formula C21H22N2O2S2 and molecular weight 398.11 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-4,4,8-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione.
Chemical Property Profile of BAS 00757588
Property Insights of BAS 00757588
The XLogP value of 5.92151 indicates that BAS 00757588 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.42 Ų, BAS 00757588 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00757588 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 00757588?
The CAS number of BAS 00757588 is 333340-29-7.
What is the molecular formula of BAS 00757588?
The molecular formula of BAS 00757588 is C21H22N2O2S2.
What is the molecular weight of BAS 00757588?
The molecular weight of BAS 00757588 is 398.11 g/mol.
Where can I buy BAS 00757588?
You can request a quote for BAS 00757588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00757588?
Yes, KEHONG BIO provides custom synthesis services for BAS 00757588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.