A3806/0161550
TL;DR: A3806/0161550 (CAS 727687-60-7) is a chemical compound with molecular formula C18H12F3N3O4 and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
Also Known As: A3806/0161550, N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole-5-carboxamide
| Molecular Formula | C18H12F3N3O4 |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 3.4141 |
| Topological Polar Surface Area | 86.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.078 |
| Heavy Atoms | 28 |
| Complexity | 1015.66046 |
Chemical Identifiers
| CAS Number | 727687-60-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F |
Product Overview
A3806/0161550 (CAS 727687-60-7), with molecular formula C18H12F3N3O4 and molecular weight 391.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide.
Chemical Property Profile of A3806/0161550
Property Insights of A3806/0161550
The XLogP value of 3.4141 indicates that A3806/0161550 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 A3806/0161550. Following Lipinski's Rule of Five, A3806/0161550 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 A3806/0161550?
The CAS number of A3806/0161550 is 727687-60-7.
What is the molecular formula of A3806/0161550?
The molecular formula of A3806/0161550 is C18H12F3N3O4.
What is the molecular weight of A3806/0161550?
The molecular weight of A3806/0161550 is 391.08 g/mol.
Where can I buy A3806/0161550?
You can request a quote for A3806/0161550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3806/0161550?
Yes, KEHONG BIO provides custom synthesis services for A3806/0161550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.