Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester
TL;DR: Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester (CAS 28570-58-3) is a chemical compound with molecular formula C25H24N2O3 and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(3-phenylmethoxyindazol-1-yl)benzoate
Also Known As: p- benzoicacidbutylester, 5-23-11-00252 (Beilstein Handbook Reference), BENZOIC ACID, p-(3-(BENZYLOXY)-1H-INDAZOL-1-YL)-, BUTYL ESTER, p-(3-(Benzoyloxy)-1H-indazol-1-yl)benzoic acid butyl ester, butyl 4-[3-(benzyloxy)-1H-indazol-1-yl]benzoate
| Molecular Formula | C25H24N2O3 |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.17868 |
| Heavy Atoms | 30 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 28570-58-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=N2)OCC4=CC=CC=C4 |
| InChIKey | KFHOWWCLCYDJJC-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester (CAS 28570-58-3), with molecular formula C25H24N2O3 and molecular weight 400.18 g/mol. IUPAC: butyl 4-(3-phenylmethoxyindazol-1-yl)benzoate.
Chemical Property Profile of Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester
Property Insights of Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester
The XLogP value of 6.1 indicates that Benzoic acid, p-(3-(benzyloxy)-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 53.4 Ų, Benzoic acid, p-(3-(benzyloxy)-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-(benzyloxy)-1H-indazol-1-yl)-, butyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester?
The CAS number of Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester is 28570-58-3.
What is the molecular formula of Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester?
The molecular formula of Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester is C25H24N2O3.
What is the molecular weight of Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester?
The molecular weight of Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester is 400.18 g/mol.
Where can I buy Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester?
You can request a quote for Benzoic acid, p-(3-(benzyloxy)-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-(benzyloxy)-1H-indazol-1-yl)-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.