5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
TL;DR: 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (CAS 91066-47-6) is a chemical compound with molecular formula C11H11ClN2O3 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Also Known As: 5-(chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole, 1-Phenylcyclopentylamine, ZERO/004645, 5-Chloromethyl-3-(3,4-dimethoxyphenyl)-[1,2,4]oxadiazole, 1,2,4-Oxadiazole, 5-(chloromethyl)-3-(3,4-dimethoxyphenyl)-
| Molecular Formula | C11H11ClN2O3 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 2.4926 |
| Topological Polar Surface Area | 57.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.04582 |
| Heavy Atoms | 17 |
| Complexity | 513.16766 |
Chemical Identifiers
| CAS Number | 91066-47-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NOC(=N2)CCl)OC |
Product Overview
5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (CAS 91066-47-6), with molecular formula C11H11ClN2O3 and molecular weight 254.05 g/mol. IUPAC: 5-(chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Property Insights of 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
The XLogP value of 2.4926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole. With a topological polar surface area (TPSA) of 57.38 Ų, 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole has 0 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-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The CAS number of 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is 91066-47-6.
What is the molecular formula of 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The molecular formula of 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is C11H11ClN2O3.
What is the molecular weight of 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The molecular weight of 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is 254.05 g/mol.
Where can I buy 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
You can request a quote for 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-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 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.