1-(邻氯苄基)-1H-吲唑-3-甲酸
TL;DR: 1-(邻氯苄基)-1H-吲唑-3-甲酸 (CAS 50264-60-3) is a chemical compound with molecular formula C15H11ClN2O2 and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(邻氯苄基)-1H-吲唑-3-甲酸
1-[(2-chlorophenyl)methyl]indazole-3-carboxylic acid
Also Known As: 1H-Indazole-3-carboxylic acid, 1-(o-chlorobenzyl)-, 1-[(2-chlorophenyl)methyl]indazole-3-carboxylic acid, 1-(2-Chlorobenzyl)-1H-indazole-3-carboxylic acid, 5-25-04-00249 (Beilstein Handbook Reference), 1-[(2-Chlorophenyl)methyl]-1H-indazole-3-carboxylic acid
| Molecular Formula | C15H11ClN2O2 |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0509 |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 50264-60-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=N2)C(=O)O)Cl |
| InChIKey | XAFMIJVTZLRIIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(邻氯苄基)-1H-吲唑-3-甲酸 (CAS 50264-60-3), with molecular formula C15H11ClN2O2 and molecular weight 286.05 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]indazole-3-carboxylic acid.
Chemical Property Profile of 1-(邻氯苄基)-1H-吲唑-3-甲酸
Property Insights of 1-(邻氯苄基)-1H-吲唑-3-甲酸
The XLogP value of 3.7 indicates that 1-(邻氯苄基)-1H-吲唑-3-甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-(邻氯苄基)-1H-吲唑-3-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(邻氯苄基)-1H-吲唑-3-甲酸 has 1 hydrogen bond donor(s) and 3 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-(邻氯苄基)-1H-吲唑-3-甲酸?
The CAS number of 1-(邻氯苄基)-1H-吲唑-3-甲酸 is 50264-60-3.
What is the molecular formula of 1-(邻氯苄基)-1H-吲唑-3-甲酸?
The molecular formula of 1-(邻氯苄基)-1H-吲唑-3-甲酸 is C15H11ClN2O2.
What is the molecular weight of 1-(邻氯苄基)-1H-吲唑-3-甲酸?
The molecular weight of 1-(邻氯苄基)-1H-吲唑-3-甲酸 is 286.05 g/mol.
Where can I buy 1-(邻氯苄基)-1H-吲唑-3-甲酸?
You can request a quote for 1-(邻氯苄基)-1H-吲唑-3-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(邻氯苄基)-1H-吲唑-3-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1-(邻氯苄基)-1H-吲唑-3-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.