Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester
TL;DR: Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester (CAS 20954-15-8) is a chemical compound with molecular formula C23H29N3O3 and molecular weight 395.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[3-[3-(dimethylamino)propoxy]indazol-1-yl]benzoate
Also Known As: ITF 633, butyl 4-[3-[3-(dimethylamino)propoxy]indazol-1-yl]benzoate, BENZOIC ACID, p-(3-(3-(DIMETHYLAMINO)PROPOXY)-1H-INDAZOL-1-YL)-, BUTYL ESTER, p-[3-[3- propoxy]-1H-indazol-1-yl]benzoicacidbutylester, butyl 4-{3-[3-(dimethylamino)propoxy]-1H-indazol-1-yl}benzoate
| Molecular Formula | C23H29N3O3 |
|---|---|
| Molecular Weight | 395.22 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 395.2209 |
| Heavy Atoms | 29 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 20954-15-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=N2)OCCCN(C)C |
| InChIKey | ZNHBGQCKVQVSPG-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester (CAS 20954-15-8), with molecular formula C23H29N3O3 and molecular weight 395.22 g/mol. IUPAC: butyl 4-[3-[3-(dimethylamino)propoxy]indazol-1-yl]benzoate.
Chemical Property Profile of Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester
Property Insights of Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester
The XLogP value of 5.0 indicates that Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-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-(3-(dimethylamino)propoxy)-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-(3-(dimethylamino)propoxy)-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
Frequently Asked Questions
What is the CAS number of Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester?
The CAS number of Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester is 20954-15-8.
What is the molecular formula of Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester?
The molecular formula of Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester is C23H29N3O3.
What is the molecular weight of Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester?
The molecular weight of Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester is 395.22 g/mol.
Where can I buy Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester?
You can request a quote for Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.