RefChem:592992
TL;DR: RefChem:592992 (CAS 306309-33-1) is a chemical compound with molecular formula C28H21F3N2O4S and molecular weight 538.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00996333, ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 7-methyl-3-oxo-5-phenyl-2-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (E)-ethyl 7-methyl-3-oxo-5-phenyl-2-((5-(3-(trifluoromethyl)phenyl)furan-2-yl)methylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, 651-610-4
| Molecular Formula | C28H21F3N2O4S |
|---|---|
| Molecular Weight | 538.12 g/mol |
| LogP | 5.0771 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.11743 |
| Heavy Atoms | 38 |
| Complexity | 1729.6752 |
Chemical Identifiers
| CAS Number | 306309-33-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)/C(=C\C4=CC=C(O4)C5=CC(=CC=C5)C(F)(F)F)/S2)C |
Product Overview
RefChem:592992 (CAS 306309-33-1), with molecular formula C28H21F3N2O4S and molecular weight 538.12 g/mol. IUPAC: ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of RefChem:592992
Property Insights of RefChem:592992
The XLogP value of 5.0771 indicates that RefChem:592992 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:592992. Following Lipinski's Rule of Five, RefChem:592992 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 RefChem:592992?
The CAS number of RefChem:592992 is 306309-33-1.
What is the molecular formula of RefChem:592992?
The molecular formula of RefChem:592992 is C28H21F3N2O4S.
What is the molecular weight of RefChem:592992?
The molecular weight of RefChem:592992 is 538.12 g/mol.
Where can I buy RefChem:592992?
You can request a quote for RefChem:592992 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:592992?
Yes, KEHONG BIO provides custom synthesis services for RefChem:592992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.