Benzidol
TL;DR: Benzidol (CAS 5399-58-6) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzylindazol-3-yl)oxypropane-1,2-diol
Also Known As: Benzidol, 1-Benzyl-3- -1H-indazole, 1-Benzyl-3-(2,3-dihydroxypropoxy)indazole, 3-(1-benzylindazol-3-yl)oxypropane-1,2-diol, 3-[(1-benzyl-1h-indazol-3-yl)oxy]propane-1,2-diol
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 5399-58-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)OCC(CO)O |
| InChIKey | DNRGADIEZZFWOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzidol (CAS 5399-58-6), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: 3-(1-benzylindazol-3-yl)oxypropane-1,2-diol.
Chemical Property Profile of Benzidol
Property Insights of Benzidol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzidol. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzidol. Following Lipinski's Rule of Five, Benzidol has 2 hydrogen bond donor(s) and 4 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 Benzidol?
The CAS number of Benzidol is 5399-58-6.
What is the molecular formula of Benzidol?
The molecular formula of Benzidol is C17H18N2O3.
What is the molecular weight of Benzidol?
The molecular weight of Benzidol is 298.13 g/mol.
Where can I buy Benzidol?
You can request a quote for Benzidol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzidol?
Yes, KEHONG BIO provides custom synthesis services for Benzidol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.