1-benzyl-5-(2-furyl)-1H-tetrazole
TL;DR: 1-benzyl-5-(2-furyl)-1H-tetrazole (CAS 51784-73-7) is a chemical compound with molecular formula C12H10N4O and molecular weight 226.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-(furan-2-yl)tetrazole
Also Known As: 1-benzyl-5-(2-furyl)-1H-tetrazole, 1-benzyl-5-(furan-2-yl)tetrazole, 1-benzyl-5-(2-furyl)-1H-tetraazole, 1-Benzyl-5-(furan-2-yl)-1H-tetrazole, 2-[1-benzyl-1,2,3,4-tetraazol-5-yl]furan
| Molecular Formula | C12H10N4O |
|---|---|
| Molecular Weight | 226.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.08546 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 51784-73-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NN=N2)C3=CC=CO3 |
| InChIKey | WHVCPILBSDIJJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-benzyl-5-(2-furyl)-1H-tetrazole (CAS 51784-73-7), with molecular formula C12H10N4O and molecular weight 226.09 g/mol. IUPAC: 1-benzyl-5-(furan-2-yl)tetrazole.
Chemical Property Profile of 1-benzyl-5-(2-furyl)-1H-tetrazole
Property Insights of 1-benzyl-5-(2-furyl)-1H-tetrazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-5-(2-furyl)-1H-tetrazole. With a topological polar surface area (TPSA) of 56.7 Ų, 1-benzyl-5-(2-furyl)-1H-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-5-(2-furyl)-1H-tetrazole has 0 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 1-benzyl-5-(2-furyl)-1H-tetrazole?
The CAS number of 1-benzyl-5-(2-furyl)-1H-tetrazole is 51784-73-7.
What is the molecular formula of 1-benzyl-5-(2-furyl)-1H-tetrazole?
The molecular formula of 1-benzyl-5-(2-furyl)-1H-tetrazole is C12H10N4O.
What is the molecular weight of 1-benzyl-5-(2-furyl)-1H-tetrazole?
The molecular weight of 1-benzyl-5-(2-furyl)-1H-tetrazole is 226.09 g/mol.
Where can I buy 1-benzyl-5-(2-furyl)-1H-tetrazole?
You can request a quote for 1-benzyl-5-(2-furyl)-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-5-(2-furyl)-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-(2-furyl)-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.