5-Hydroxybendazac
TL;DR: 5-Hydroxybendazac (CAS 90674-44-5) is a chemical compound with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzyl-5-hydroxyindazol-3-yl)oxyacetic acid
Also Known As: 5-Hydroxybendazac, 2-(1-benzyl-5-hydroxyindazol-3-yl)oxyacetic acid, [(1-benzyl-5-hydroxy-1h-indazol-3-yl)oxy]acetic acid, 2-[(1-benzyl-5-hydroxy-1H-indazol-3-yl)oxy]acetic acid, [[5-Hydroxy-1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetic acid
| Molecular Formula | C16H14N2O4 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.09537 |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 90674-44-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)O)C(=N2)OCC(=O)O |
| InChIKey | RBHGJSQCPLSKMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Hydroxybendazac (CAS 90674-44-5), with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol. IUPAC: 2-(1-benzyl-5-hydroxyindazol-3-yl)oxyacetic acid.
Chemical Property Profile of 5-Hydroxybendazac
Property Insights of 5-Hydroxybendazac
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxybendazac. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxybendazac. Following Lipinski's Rule of Five, 5-Hydroxybendazac 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 5-Hydroxybendazac?
The CAS number of 5-Hydroxybendazac is 90674-44-5.
What is the molecular formula of 5-Hydroxybendazac?
The molecular formula of 5-Hydroxybendazac is C16H14N2O4.
What is the molecular weight of 5-Hydroxybendazac?
The molecular weight of 5-Hydroxybendazac is 298.10 g/mol.
Where can I buy 5-Hydroxybendazac?
You can request a quote for 5-Hydroxybendazac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxybendazac?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxybendazac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.