1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)-
TL;DR: 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)- (CAS 58586-10-0) is a chemical compound with molecular formula C16H13ClN2O2 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid
Also Known As: 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)-, (1-p-Chlorobenzyl-1H-indazol-3-yl)acetic acid, 5-25-04-00281 (Beilstein Handbook Reference), 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid, {1-[(4-Chlorophenyl)methyl]-1H-indazol-3-yl}acetic acid
| Molecular Formula | C16H13ClN2O2 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 3.3651 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.06656 |
| Heavy Atoms | 21 |
| Complexity | 793.6471 |
Chemical Identifiers
| CAS Number | 58586-10-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN2CC3=CC=C(C=C3)Cl)CC(=O)O |
Product Overview
1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)- (CAS 58586-10-0), with molecular formula C16H13ClN2O2 and molecular weight 300.07 g/mol. IUPAC: 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid.
Chemical Property Profile of 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)-
Property Insights of 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)-
The XLogP value of 3.3651 indicates that 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)- has 1 hydrogen bond donor(s) and 2 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 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)-?
The CAS number of 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)- is 58586-10-0.
What is the molecular formula of 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)-?
The molecular formula of 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)- is C16H13ClN2O2.
What is the molecular weight of 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)-?
The molecular weight of 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)- is 300.07 g/mol.
Where can I buy 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)-?
You can request a quote for 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indazole-3-acetic acid, 1-(p-chlorobenzyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.