1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester
TL;DR: 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester (CAS 50264-85-2) is a chemical compound with molecular formula C18H15Cl3N2O4 and molecular weight 428.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxypropyl 1-[(2,4,5-trichlorophenyl)methyl]indazole-3-carboxylate
Also Known As: 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester, 1H-Indazole-3-carboxylic acid, 1-(2,4,5-trichlorobenzyl)-, 2,3-dihydroxypropyl ester, 2,3-Dihydroxypropyl 1-[(2,4,5-trichlorophenyl)methyl]-1H-indazole-3-carboxylate, 2,3-dihydroxypropyl 1-[(2,4,5-trichlorophenyl)methyl]indazole-3-carboxylate, BRN 0903871
| Molecular Formula | C18H15Cl3N2O4 |
|---|---|
| Molecular Weight | 428.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.00974 |
| Heavy Atoms | 27 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 50264-85-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN2CC3=CC(=C(C=C3Cl)Cl)Cl)C(=O)OCC(CO)O |
| InChIKey | KIARKVMWQRUXRQ-UHFFFAOYSA-N |
Product Overview
1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester (CAS 50264-85-2), with molecular formula C18H15Cl3N2O4 and molecular weight 428.01 g/mol. IUPAC: 2,3-dihydroxypropyl 1-[(2,4,5-trichlorophenyl)methyl]indazole-3-carboxylate.
Chemical Property Profile of 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester
Property Insights of 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester
The XLogP value of 3.9 indicates that 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester. Following Lipinski's Rule of Five, 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester has 2 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 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester?
The CAS number of 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester is 50264-85-2.
What is the molecular formula of 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester?
The molecular formula of 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester is C18H15Cl3N2O4.
What is the molecular weight of 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester?
The molecular weight of 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester is 428.01 g/mol.
Where can I buy 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester?
You can request a quote for 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4,5-Trichlorobenzyl)-1H-indazole-3-carboxylic acid 2,3-dihydroxypropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.