Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester
TL;DR: Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester (CAS 20954-14-7) is a chemical compound with molecular formula C25H31N3O3 and molecular weight 421.23654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 4-[3-(2-piperidin-1-ylethoxy)indazol-1-yl]benzoate
Also Known As: ITF 632, butyl 4-[3-(2-piperidin-1-ylethoxy)indazol-1-yl]benzoate, BENZOIC ACID, p-(3-(2-PIPERIDINOETHOXY)-1H-INDAZOL-1-YL)-, BUTYL ESTER, p-(3-(2-Piperidinoethoxy)-1H-indazol-1-yl)benzoic acid butyl ester, butyl 4-{3-[2-(piperidin-1-yl)ethoxy]-1H-indazol-1-yl}benzoate
Technical Specifications
| Molecular Formula | C25H31N3O3 |
| Molecular Weight | 421.23654 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 56.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 421.23654 Da |
| Heavy Atoms | 31 |
| Complexity | 546.0 |
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=N2)OCCN4CCCCC4 |
| InChIKey | WNFPNMLOMZOGLE-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester
Property Insights of Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester
The XLogP value of 5.5 indicates that Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.6 Ų, Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester has 0 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 Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester?
The CAS number of Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester is 20954-14-7.
What is the molecular formula of Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester?
The molecular formula of Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester is C25H31N3O3.
What is the molecular weight of Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester?
The molecular weight of Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester is 421.23654 g/mol.
Where can I buy Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester?
You can request a quote for Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.