BAS 00861896
TL;DR: BAS 00861896 (CAS 330832-90-1) is a chemical compound with molecular formula C22H22N2O3S2 and molecular weight 426.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(8-methoxy-4,4-dimethyl-1-sulfanylidene-5H-[1,2]thiazolo[5,4-c]quinolin-2-yl)benzoate
Also Known As: BAS 00861896, ethyl 4-(8-methoxy-4,4-dimethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoate, BRD-K24817204-001-01-6, ethyl 4-(8-methoxy-4,4-dimethyl-1-sulfanylidene-5H-[1,2]thiazolo[5,4-c]quinolin-2-yl)benzoate, ethyl 4-(8-methoxy-4,4-dimethyl-1-thioxo-2,4,5-trihydroisothiazolo[5,4-c]quino lin-2-yl)benzoate
| Molecular Formula | C22H22N2O3S2 |
|---|---|
| Molecular Weight | 426.11 g/mol |
| LogP | 5.78119 |
| Topological Polar Surface Area | 52.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.10718 |
| Heavy Atoms | 29 |
| Complexity | 1143.8544 |
Chemical Identifiers
| CAS Number | 330832-90-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=S)C3=C(S2)C(NC4=C3C=C(C=C4)OC)(C)C |
Product Overview
BAS 00861896 (CAS 330832-90-1), with molecular formula C22H22N2O3S2 and molecular weight 426.11 g/mol. IUPAC: ethyl 4-(8-methoxy-4,4-dimethyl-1-sulfanylidene-5H-[1,2]thiazolo[5,4-c]quinolin-2-yl)benzoate.
Chemical Property Profile of BAS 00861896
Property Insights of BAS 00861896
The XLogP value of 5.78119 indicates that BAS 00861896 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.49 Ų, BAS 00861896 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00861896 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00861896?
The CAS number of BAS 00861896 is 330832-90-1.
What is the molecular formula of BAS 00861896?
The molecular formula of BAS 00861896 is C22H22N2O3S2.
What is the molecular weight of BAS 00861896?
The molecular weight of BAS 00861896 is 426.11 g/mol.
Where can I buy BAS 00861896?
You can request a quote for BAS 00861896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00861896?
Yes, KEHONG BIO provides custom synthesis services for BAS 00861896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.