2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole
TL;DR: 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole (CAS 3914-42-9) is a chemical compound with molecular formula C4H5ClN2O and molecular weight 132.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-5-methyl-1,3,4-oxadiazole
Also Known As: 2-(chloromethyl)-5-methyl-1,3,4-oxadiazole, 2-Chloromethyl-5-methyl-[1,3,4]oxadiazole, TOS-BB-1221, ZERO/004637, 1,3,4-Oxadiazole, 2-(chloromethyl)-5-methyl-
| Molecular Formula | C4H5ClN2O |
|---|---|
| Molecular Weight | 132.01 g/mol |
| LogP | 1.11682 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.00903 |
| Heavy Atoms | 8 |
| Complexity | 174.30116 |
Chemical Identifiers
| CAS Number | 3914-42-9 |
|---|---|
| SMILES | CC1=NN=C(O1)CCl |
Product Overview
2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole (CAS 3914-42-9), with molecular formula C4H5ClN2O and molecular weight 132.01 g/mol. IUPAC: 2-(chloromethyl)-5-methyl-1,3,4-oxadiazole.
Chemical Property Profile of 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole
Property Insights of 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole
The XLogP value of 1.11682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole. With a topological polar surface area (TPSA) of 38.92 Ų, 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-5-methyl-1,3,4-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 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole?
The CAS number of 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole is 3914-42-9.
What is the molecular formula of 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole?
The molecular formula of 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole is C4H5ClN2O.
What is the molecular weight of 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole?
The molecular weight of 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole is 132.01 g/mol.
Where can I buy 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole?
You can request a quote for 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.