BAS 00622314
TL;DR: BAS 00622314 (CAS 331845-27-3) is a chemical compound with molecular formula C25H23ClN2O5S and molecular weight 498.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(4-chlorophenyl)-2-[(2,5-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00622314, ethyl (2Z)-5-(4-chlorophenyl)-2-[(2,5-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-(4-chlorophenyl)-2-(2,5-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 5-(4-chlorophenyl)-2-(2,5-dimethoxybenzylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-[(2,5-dimethoxyphenyl)methylene]-5-(4-chlorophenyl)-7-methyl-3-oxo-4,5 -dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C25H23ClN2O5S |
|---|---|
| Molecular Weight | 498.10 g/mol |
| LogP | 3.4689 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.10162 |
| Heavy Atoms | 34 |
| Complexity | 1453.8921 |
Chemical Identifiers
| CAS Number | 331845-27-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)/C(=C/C4=C(C=CC(=C4)OC)OC)/S2)C |
Product Overview
BAS 00622314 (CAS 331845-27-3), with molecular formula C25H23ClN2O5S and molecular weight 498.10 g/mol. IUPAC: ethyl (2Z)-5-(4-chlorophenyl)-2-[(2,5-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00622314
Property Insights of BAS 00622314
The XLogP value of 3.4689 indicates that BAS 00622314 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 00622314. Following Lipinski's Rule of Five, BAS 00622314 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00622314?
The CAS number of BAS 00622314 is 331845-27-3.
What is the molecular formula of BAS 00622314?
The molecular formula of BAS 00622314 is C25H23ClN2O5S.
What is the molecular weight of BAS 00622314?
The molecular weight of BAS 00622314 is 498.10 g/mol.
Where can I buy BAS 00622314?
You can request a quote for BAS 00622314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00622314?
Yes, KEHONG BIO provides custom synthesis services for BAS 00622314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.