![5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide structure](/static/products/896/896815-41-1.png)
5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
TL;DR: 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide (CAS 896815-41-1) is a chemical compound with molecular formula C20H19ClFN3O4 and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
Also Known As: 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide, 5-(2-chloro-6-fluorobenzyl)-N-(3,4-dimethoxyphenethyl)-1,3,4-oxadiazole-2-carboxamide, 5-(2-chloro-6-fluorobenzyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
| Molecular Formula | C20H19ClFN3O4 |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 86.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.1048 |
| Heavy Atoms | 29 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 896815-41-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=NN=C(O2)CC3=C(C=CC=C3Cl)F)OC |
| InChIKey | RGUXHNJZDGMYSF-UHFFFAOYSA-N |
Product Overview
5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide (CAS 896815-41-1), with molecular formula C20H19ClFN3O4 and molecular weight 419.10 g/mol. IUPAC: 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide.
Chemical Property Profile of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
Property Insights of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
The XLogP value of 3.9 indicates that 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide. Following Lipinski's Rule of Five, 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide has 1 hydrogen bond donor(s) and 7 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-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The CAS number of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide is 896815-41-1.
What is the molecular formula of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The molecular formula of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide is C20H19ClFN3O4.
What is the molecular weight of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The molecular weight of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide is 419.10 g/mol.
Where can I buy 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
You can request a quote for 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.