BAS 00622329
TL;DR: BAS 00622329 (CAS 328263-54-3) is a chemical compound with molecular formula C24H18BrClN2O5S and molecular weight 559.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00622329, ethyl (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 2-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-5-(4-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (2Z)-2-[(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-5-(4-CHLOROPHENYL)-7-METHYL-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
| Molecular Formula | C24H18BrClN2O5S |
|---|---|
| Molecular Weight | 559.98 g/mol |
| LogP | 3.9429 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 559.98083 |
| Heavy Atoms | 34 |
| Complexity | 1524.3605 |
Chemical Identifiers
| CAS Number | 328263-54-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)/C(=C/C4=CC5=C(C=C4Br)OCO5)/S2)C |
Product Overview
BAS 00622329 (CAS 328263-54-3), with molecular formula C24H18BrClN2O5S and molecular weight 559.98 g/mol. IUPAC: ethyl (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00622329
Property Insights of BAS 00622329
The XLogP value of 3.9429 indicates that BAS 00622329 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00622329. Following Lipinski's Rule of Five, BAS 00622329 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00622329?
The CAS number of BAS 00622329 is 328263-54-3.
What is the molecular formula of BAS 00622329?
The molecular formula of BAS 00622329 is C24H18BrClN2O5S.
What is the molecular weight of BAS 00622329?
The molecular weight of BAS 00622329 is 559.98 g/mol.
Where can I buy BAS 00622329?
You can request a quote for BAS 00622329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00622329?
Yes, KEHONG BIO provides custom synthesis services for BAS 00622329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.