A3800/0161273
TL;DR: A3800/0161273 (CAS 727685-69-0) is a chemical compound with molecular formula C16H14F3N5O2 and molecular weight 365.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-imidazol-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
Also Known As: A3800/0161273, N-[3-(1H-imidazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide, N-(3-imidazol-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide, N-(3-(1H-imidazol-1-yl)propyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole-5-carboxamide
| Molecular Formula | C16H14F3N5O2 |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | 2.772 |
| Topological Polar Surface Area | 85.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.10995 |
| Heavy Atoms | 26 |
| Complexity | 856.9 |
Chemical Identifiers
| CAS Number | 727685-69-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NOC(=N2)C(=O)NCCCN3C=CN=C3)C(F)(F)F |
Product Overview
A3800/0161273 (CAS 727685-69-0), with molecular formula C16H14F3N5O2 and molecular weight 365.11 g/mol. IUPAC: N-(3-imidazol-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide.
Chemical Property Profile of A3800/0161273
Property Insights of A3800/0161273
The XLogP value of 2.772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3800/0161273. The TPSA of 85.84 Ų falls within the moderate polarity range, balancing permeability and solubility for A3800/0161273. Following Lipinski's Rule of Five, A3800/0161273 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 A3800/0161273?
The CAS number of A3800/0161273 is 727685-69-0.
What is the molecular formula of A3800/0161273?
The molecular formula of A3800/0161273 is C16H14F3N5O2.
What is the molecular weight of A3800/0161273?
The molecular weight of A3800/0161273 is 365.11 g/mol.
Where can I buy A3800/0161273?
You can request a quote for A3800/0161273 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3800/0161273?
Yes, KEHONG BIO provides custom synthesis services for A3800/0161273 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.