RefChem:240091
TL;DR: RefChem:240091 (CAS 114335-22-7) is a chemical compound with molecular formula C25H33N3O3 and molecular weight 423.2522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]propanoate
Also Known As: Ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1H-pyrazolo(3,4-b)pyridine-1-propionate, 3-(3,5-Di-tertiary-butyl-4-hydroxyphenyl)-1-(2-ethoxycarbonylethyl)-1H-pyrazolo(3,4-b)pyridine, 1H-Pyrazolo(3,4-b)pyridine-1-propanoic acid, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-,ethyl ester, Ethyl 3-[3-(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-1-yl]propanoate, ethyl 3-[3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2H-pyrazolo[3,4-b]pyridin-1-yl]propanoate
Technical Specifications
| Molecular Formula | C25H33N3O3 |
| Molecular Weight | 423.2522 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 77.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.2522 Da |
| Heavy Atoms | 31 |
| Complexity | 588.0 |
| SMILES | CCOC(=O)CCN1C2=C(C=CC=N2)C(=N1)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C |
| InChIKey | RMIBTLFWYXVPCE-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:240091
Property Insights of RefChem:240091
The XLogP value of 5.6 indicates that RefChem:240091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:240091. Following Lipinski's Rule of Five, RefChem:240091 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:240091?
The CAS number of RefChem:240091 is 114335-22-7.
What is the molecular formula of RefChem:240091?
The molecular formula of RefChem:240091 is C25H33N3O3.
What is the molecular weight of RefChem:240091?
The molecular weight of RefChem:240091 is 423.2522 g/mol.
Where can I buy RefChem:240091?
You can request a quote for RefChem:240091 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:240091?
Yes, CoreyChem provides custom synthesis services for RefChem:240091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.