A3806/0161549
TL;DR: A3806/0161549 (CAS 727687-59-4) is a chemical compound with molecular formula C20H18F3N3O4 and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
Also Known As: A3806/0161549, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide, N-(3,4-dimethoxyphenethyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole-5-carboxamide
| Molecular Formula | C20H18F3N3O4 |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 3.7451 |
| Topological Polar Surface Area | 86.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.12494 |
| Heavy Atoms | 30 |
| Complexity | 1016.88135 |
Chemical Identifiers
| CAS Number | 727687-59-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F)OC |
Product Overview
A3806/0161549 (CAS 727687-59-4), with molecular formula C20H18F3N3O4 and molecular weight 421.12 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide.
Chemical Property Profile of A3806/0161549
Property Insights of A3806/0161549
The XLogP value of 3.7451 indicates that A3806/0161549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.48 Ų falls within the moderate polarity range, balancing permeability and solubility for A3806/0161549. Following Lipinski's Rule of Five, A3806/0161549 has 1 hydrogen bond donor(s) and 6 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 A3806/0161549?
The CAS number of A3806/0161549 is 727687-59-4.
What is the molecular formula of A3806/0161549?
The molecular formula of A3806/0161549 is C20H18F3N3O4.
What is the molecular weight of A3806/0161549?
The molecular weight of A3806/0161549 is 421.12 g/mol.
Where can I buy A3806/0161549?
You can request a quote for A3806/0161549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3806/0161549?
Yes, KEHONG BIO provides custom synthesis services for A3806/0161549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.