BAS 00861899
TL;DR: BAS 00861899 (CAS 332044-03-8) is a chemical compound with molecular formula C22H22N2O2S2 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4,4,6-trimethyl-1-sulfanylidene-5H-[1,2]thiazolo[5,4-c]quinolin-2-yl)benzoate
Also Known As: BAS 00861899, ethyl 4-(4,4,6-trimethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoate, ethyl 4-(4,4,6-trimethyl-1-sulfanylidene-5H-[1,2]thiazolo[5,4-c]quinolin-2-yl)benzoate, ethyl 4-(4,4,6-trimethyl-1-thioxo-2,4,5-trihydroisothiazolo[5,4-c]quinolin-2-y l)benzoate, ethyl 4-(4,4,6-trimethyl-1-thioxo-4,5-dihydro[1,2]thiazolo[5,4-c]quinolin-2(1H)-yl)benzoate
| Molecular Formula | C22H22N2O2S2 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 6.08101 |
| Topological Polar Surface Area | 43.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.11227 |
| Heavy Atoms | 28 |
| Complexity | 1124.4288 |
Chemical Identifiers
| CAS Number | 332044-03-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=S)C3=C(S2)C(NC4=C(C=CC=C34)C)(C)C |
Product Overview
BAS 00861899 (CAS 332044-03-8), with molecular formula C22H22N2O2S2 and molecular weight 410.11 g/mol. IUPAC: ethyl 4-(4,4,6-trimethyl-1-sulfanylidene-5H-[1,2]thiazolo[5,4-c]quinolin-2-yl)benzoate.
Chemical Property Profile of BAS 00861899
Property Insights of BAS 00861899
The XLogP value of 6.08101 indicates that BAS 00861899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.26 Ų, BAS 00861899 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00861899 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 00861899?
The CAS number of BAS 00861899 is 332044-03-8.
What is the molecular formula of BAS 00861899?
The molecular formula of BAS 00861899 is C22H22N2O2S2.
What is the molecular weight of BAS 00861899?
The molecular weight of BAS 00861899 is 410.11 g/mol.
Where can I buy BAS 00861899?
You can request a quote for BAS 00861899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00861899?
Yes, KEHONG BIO provides custom synthesis services for BAS 00861899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.