A2000/0084033
TL;DR: A2000/0084033 (CAS 296879-09-9) is a chemical compound with molecular formula C30H28FN3O4S and molecular weight 545.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: A2000/0084033, (E)-ethyl 2-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-(2-methoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-2-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (2E)-2-{[1-(4-FLUOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]METHYLIDENE}-5-(2-METHOXYPHENYL)-7-METHYL-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE, ethyl 2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-(2-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C30H28FN3O4S |
|---|---|
| Molecular Weight | 545.18 g/mol |
| LogP | 4.35354 |
| Topological Polar Surface Area | 74.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 545.17847 |
| Heavy Atoms | 39 |
| Complexity | 1794.8153 |
Chemical Identifiers
| CAS Number | 296879-09-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC)C(=O)/C(=C\C4=C(N(C(=C4)C)C5=CC=C(C=C5)F)C)/S2)C |
Product Overview
A2000/0084033 (CAS 296879-09-9), with molecular formula C30H28FN3O4S and molecular weight 545.18 g/mol. IUPAC: ethyl (2E)-2-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of A2000/0084033
Property Insights of A2000/0084033
The XLogP value of 4.35354 indicates that A2000/0084033 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.82 Ų falls within the moderate polarity range, balancing permeability and solubility for A2000/0084033. Following Lipinski's Rule of Five, A2000/0084033 has 0 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 A2000/0084033?
The CAS number of A2000/0084033 is 296879-09-9.
What is the molecular formula of A2000/0084033?
The molecular formula of A2000/0084033 is C30H28FN3O4S.
What is the molecular weight of A2000/0084033?
The molecular weight of A2000/0084033 is 545.18 g/mol.
Where can I buy A2000/0084033?
You can request a quote for A2000/0084033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2000/0084033?
Yes, KEHONG BIO provides custom synthesis services for A2000/0084033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.