Ether, p-chlorophenyl 2-methylallyl
TL;DR: Ether, p-chlorophenyl 2-methylallyl (CAS 5820-23-5) is a chemical compound with molecular formula C33H25F3N2O5S and molecular weight 618.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: Ether, p-chlorophenyl 2-methylallyl, ethyl 5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Benzene, 1-chloro-4-[(2-methyl-2-propenyl)oxy]-, ETHYL (8Z)-2-(2-METHOXYNAPHTHALEN-1-YL)-4-METHYL-9-OXO-8-[[5-[3-(TRIFLUOROMETHYL)PHENYL]-2-FURYL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, ethyl 5-(2-methoxy-1-naphthyl)-7-methyl-3-oxo-2-[[5-[3-(trifluoromethyl)phenyl]-2-furyl]methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C33H25F3N2O5S |
|---|---|
| Molecular Weight | 618.14 g/mol |
| LogP | 6.2389 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 618.1436 |
| Heavy Atoms | 44 |
| Complexity | 2138.6565 |
Chemical Identifiers
| CAS Number | 5820-23-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC4=CC=CC=C43)OC)C(=O)C(=CC5=CC=C(O5)C6=CC(=CC=C6)C(F)(F)F)S2)C |
Product Overview
Ether, p-chlorophenyl 2-methylallyl (CAS 5820-23-5), with molecular formula C33H25F3N2O5S and molecular weight 618.14 g/mol. IUPAC: ethyl 5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Ether, p-chlorophenyl 2-methylallyl
Property Insights of Ether, p-chlorophenyl 2-methylallyl
The XLogP value of 6.2389 indicates that Ether, p-chlorophenyl 2-methylallyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Ether, p-chlorophenyl 2-methylallyl. Following Lipinski's Rule of Five, Ether, p-chlorophenyl 2-methylallyl 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 Ether, p-chlorophenyl 2-methylallyl?
The CAS number of Ether, p-chlorophenyl 2-methylallyl is 5820-23-5.
What is the molecular formula of Ether, p-chlorophenyl 2-methylallyl?
The molecular formula of Ether, p-chlorophenyl 2-methylallyl is C33H25F3N2O5S.
What is the molecular weight of Ether, p-chlorophenyl 2-methylallyl?
The molecular weight of Ether, p-chlorophenyl 2-methylallyl is 618.14 g/mol.
Where can I buy Ether, p-chlorophenyl 2-methylallyl?
You can request a quote for Ether, p-chlorophenyl 2-methylallyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ether, p-chlorophenyl 2-methylallyl?
Yes, KEHONG BIO provides custom synthesis services for Ether, p-chlorophenyl 2-methylallyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.