Bionet1_004586
TL;DR: Bionet1_004586 (CAS 439107-50-3) is a chemical compound with molecular formula C16H19F3N2O4S and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[3-thiophen-2-yl-3-[(2,2,2-trifluoroacetyl)amino]propanoyl]piperidine-4-carboxylate
Also Known As: Bionet1_004586, methyl 1-{3-(2-thienyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoyl}-4-piperidinecarboxylate, methyl 1-[3-(thiophen-2-yl)-3-(2,2,2-trifluoroacetamido)propanoyl]piperidine-4-carboxylate, methyl 1-[3-thiophen-2-yl-3-[(2,2,2-trifluoroacetyl)amino]propanoyl]piperidine-4-carboxylate, methyl 1-[3-(2-thienyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoyl]piperidine-4-carboxylate
| Molecular Formula | C16H19F3N2O4S |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 2.2694 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.10178 |
| Heavy Atoms | 26 |
| Complexity | 640.4201 |
Chemical Identifiers
| CAS Number | 439107-50-3 |
|---|---|
| SMILES | COC(=O)C1CCN(CC1)C(=O)CC(C2=CC=CS2)NC(=O)C(F)(F)F |
Product Overview
Bionet1_004586 (CAS 439107-50-3), with molecular formula C16H19F3N2O4S and molecular weight 392.10 g/mol. IUPAC: methyl 1-[3-thiophen-2-yl-3-[(2,2,2-trifluoroacetyl)amino]propanoyl]piperidine-4-carboxylate.
Chemical Property Profile of Bionet1_004586
Property Insights of Bionet1_004586
The XLogP value of 2.2694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004586. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004586. Following Lipinski's Rule of Five, Bionet1_004586 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 Bionet1_004586?
The CAS number of Bionet1_004586 is 439107-50-3.
What is the molecular formula of Bionet1_004586?
The molecular formula of Bionet1_004586 is C16H19F3N2O4S.
What is the molecular weight of Bionet1_004586?
The molecular weight of Bionet1_004586 is 392.10 g/mol.
Where can I buy Bionet1_004586?
You can request a quote for Bionet1_004586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004586?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.