A3800/0161272
TL;DR: A3800/0161272 (CAS 727685-68-9) is a chemical compound with molecular formula C16H11F3N4O2 and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
Also Known As: A3800/0161272, N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide, N-(4-pyridinylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide, N-(pyridin-4-ylmethyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole-5-carboxamide
| Molecular Formula | C16H11F3N4O2 |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 3.0804 |
| Topological Polar Surface Area | 80.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.0834 |
| Heavy Atoms | 25 |
| Complexity | 861.09125 |
Chemical Identifiers
| CAS Number | 727685-68-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NOC(=N2)C(=O)NCC3=CC=NC=C3)C(F)(F)F |
Product Overview
A3800/0161272 (CAS 727685-68-9), with molecular formula C16H11F3N4O2 and molecular weight 348.08 g/mol. IUPAC: N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide.
Chemical Property Profile of A3800/0161272
Property Insights of A3800/0161272
The XLogP value of 3.0804 indicates that A3800/0161272 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.91 Ų falls within the moderate polarity range, balancing permeability and solubility for A3800/0161272. Following Lipinski's Rule of Five, A3800/0161272 has 1 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 A3800/0161272?
The CAS number of A3800/0161272 is 727685-68-9.
What is the molecular formula of A3800/0161272?
The molecular formula of A3800/0161272 is C16H11F3N4O2.
What is the molecular weight of A3800/0161272?
The molecular weight of A3800/0161272 is 348.08 g/mol.
Where can I buy A3800/0161272?
You can request a quote for A3800/0161272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3800/0161272?
Yes, KEHONG BIO provides custom synthesis services for A3800/0161272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.