RefChem:551560
TL;DR: RefChem:551560 (CAS 70942-39-1) is a chemical compound with molecular formula C36H43N7O4S and molecular weight 669.30975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[3-ethoxy-5-oxo-4-(1-phenyltetrazol-5-yl)sulfanyl-4H-pyrazol-1-yl]phenyl]acetamide
Also Known As: acetamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-n-[4-[3-ethoxy-4,5-dihydro-5-oxo-4-[(1-phenyl-1h-tetrazol-5-yl)thio]-1h-pyrazol-1-yl]phenyl]-, Acetamide, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(4-(3-ethoxy-4,5-dihydro-5-oxo-4-((1-phenyl-1H-tetrazol-5-yl)thio)-1H-pyrazol-1-yl)phenyl)-, 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-(4-(1-phenyl-1H-tetrazol-5-yl)thio)-3-ethoxy-5-oxo-1H-pyrazol-1-yl)phenyl)acetamide, 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-(3-ethoxy-4-((1-phenyl-1H-tetrazol-5-yl)thio)-4,5-dihidro-5-oxo-1H-pyrazol-1-yl)phenyl)acetamide, 2-[2,4-bis phenoxy]-N-[4-[3-ethoxy-4-[ thio]-4,5-dihidro-5-oxo-1H-pyrazol-1-yl]phenyl]acetamide
Technical Specifications
| Molecular Formula | C36H43N7O4S |
| Molecular Weight | 669.30975 g/mol |
| XLogP | 9.0 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 669.30975 Da |
| Heavy Atoms | 48 |
| Complexity | 1110.0 |
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3C(=O)C(C(=N3)OCC)SC4=NN=NN4C5=CC=CC=C5)C(C)(C)CC |
| InChIKey | LHJWGDNBXPSCKP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:551560
Property Insights of RefChem:551560
The XLogP value of 9.0 indicates that RefChem:551560 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting RefChem:551560 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:551560 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:551560?
The CAS number of RefChem:551560 is 70942-39-1.
What is the molecular formula of RefChem:551560?
The molecular formula of RefChem:551560 is C36H43N7O4S.
What is the molecular weight of RefChem:551560?
The molecular weight of RefChem:551560 is 669.30975 g/mol.
Where can I buy RefChem:551560?
You can request a quote for RefChem:551560 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:551560?
Yes, CoreyChem provides custom synthesis services for RefChem:551560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.