Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester
TL;DR: Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester (CAS 20954-12-5) is a chemical compound with molecular formula C22H27N3O3 and molecular weight 381.20523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 4-[3-[2-(dimethylamino)ethoxy]indazol-1-yl]benzoate
Also Known As: ITF 631, BENZOIC ACID, p-(3-(2-(DIMETHYLAMINO)ETHOXY)-1H-INDAZOL-1-YL)-, BUTYL ESTER, p-(3-(2-(Dimethylamino)ethoxy)-1H-indazol-1-yl)benzoic acid butyl ester, butyl 4-[3-(2-dimethylaminoethyloxy)indazol-1-yl]benzoate, butyl 4-{3-[2-(dimethylamino)ethoxy]-1H-indazol-1-yl}benzoate
Technical Specifications
| Molecular Formula | C22H27N3O3 |
| Molecular Weight | 381.20523 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 56.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 381.20523 Da |
| Heavy Atoms | 28 |
| Complexity | 480.0 |
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=N2)OCCN(C)C |
| InChIKey | VZXXAZKSJMKSPJ-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester
Property Insights of Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester
The XLogP value of 4.7 indicates that Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-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-(dimethylamino)ethoxy)-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-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester?
The CAS number of Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester is 20954-12-5.
What is the molecular formula of Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester?
The molecular formula of Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester is C22H27N3O3.
What is the molecular weight of Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester?
The molecular weight of Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester is 381.20523 g/mol.
Where can I buy Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester?
You can request a quote for Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-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-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-(3-(2-(dimethylamino)ethoxy)-1H-indazol-1-yl)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.