BAS 00780896
TL;DR: BAS 00780896 (CAS 324561-88-8) is a chemical compound with molecular formula C26H23ClN2O6S and molecular weight 526.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-5-(4-acetyloxy-3-methoxyphenyl)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00780896, ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(4-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-5-(4-acetyloxy-3-methoxyphenyl)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2-(4-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H23ClN2O6S |
|---|---|
| Molecular Weight | 526.10 g/mol |
| LogP | 3.3856 |
| Topological Polar Surface Area | 96.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.09656 |
| Heavy Atoms | 36 |
| Complexity | 1552.4202 |
Chemical Identifiers
| CAS Number | 324561-88-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)/C(=C\C4=CC=C(C=C4)Cl)/S2)C |
Product Overview
BAS 00780896 (CAS 324561-88-8), with molecular formula C26H23ClN2O6S and molecular weight 526.10 g/mol. IUPAC: ethyl (2E)-5-(4-acetyloxy-3-methoxyphenyl)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00780896
Property Insights of BAS 00780896
The XLogP value of 3.3856 indicates that BAS 00780896 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00780896. Following Lipinski's Rule of Five, BAS 00780896 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00780896?
The CAS number of BAS 00780896 is 324561-88-8.
What is the molecular formula of BAS 00780896?
The molecular formula of BAS 00780896 is C26H23ClN2O6S.
What is the molecular weight of BAS 00780896?
The molecular weight of BAS 00780896 is 526.10 g/mol.
Where can I buy BAS 00780896?
You can request a quote for BAS 00780896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00780896?
Yes, KEHONG BIO provides custom synthesis services for BAS 00780896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.