3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole
TL;DR: 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole (CAS 51802-77-8) is a chemical compound with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-(chloromethyl)-1,2,4-oxadiazole
Also Known As: 3-benzyl-5-(chloromethyl)-1,2,4-oxadiazole, Tetrabutylammoniumthiocyanate, 3-BENZL-5-CHLROMETHL-124-O 10G, 3-BENZL-5-CHLROMETHL-124-OX 2G, 3-benzyl-5-chloromethyl-1,2,4-oxadiazole
| Molecular Formula | C10H9ClN2O |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 2.3992 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.04034 |
| Heavy Atoms | 14 |
| Complexity | 399.51407 |
Chemical Identifiers
| CAS Number | 51802-77-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NOC(=N2)CCl |
Product Overview
3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole (CAS 51802-77-8), with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol. IUPAC: 3-benzyl-5-(chloromethyl)-1,2,4-oxadiazole.
Chemical Property Profile of 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole
Property Insights of 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole
The XLogP value of 2.3992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole. With a topological polar surface area (TPSA) of 38.92 Ų, 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole has 0 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 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole?
The CAS number of 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole is 51802-77-8.
What is the molecular formula of 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole?
The molecular formula of 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole is C10H9ClN2O.
What is the molecular weight of 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole?
The molecular weight of 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole is 208.04 g/mol.
Where can I buy 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole?
You can request a quote for 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-5-(chloromethyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.