Bionet1_001742
TL;DR: Bionet1_001742 (CAS 339102-28-2) is a chemical compound with molecular formula C14H17ClF3N3O2 and molecular weight 351.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]but-2-enoate
Also Known As: Bionet1_001742, ethyl 3-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)amino]-2-butenoate, ethyl 3-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]but-2-enoate
| Molecular Formula | C14H17ClF3N3O2 |
|---|---|
| Molecular Weight | 351.10 g/mol |
| LogP | 3.2222 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.09613 |
| Heavy Atoms | 23 |
| Complexity | 576.87616 |
Chemical Identifiers
| CAS Number | 339102-28-2 |
|---|---|
| SMILES | CCOC(=O)C=C(C)NCCNC1=C(C=C(C=N1)C(F)(F)F)Cl |
Product Overview
Bionet1_001742 (CAS 339102-28-2), with molecular formula C14H17ClF3N3O2 and molecular weight 351.10 g/mol. IUPAC: ethyl 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]but-2-enoate.
Chemical Property Profile of Bionet1_001742
Property Insights of Bionet1_001742
The XLogP value of 3.2222 indicates that Bionet1_001742 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_001742. Following Lipinski's Rule of Five, Bionet1_001742 has 2 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_001742?
The CAS number of Bionet1_001742 is 339102-28-2.
What is the molecular formula of Bionet1_001742?
The molecular formula of Bionet1_001742 is C14H17ClF3N3O2.
What is the molecular weight of Bionet1_001742?
The molecular weight of Bionet1_001742 is 351.10 g/mol.
Where can I buy Bionet1_001742?
You can request a quote for Bionet1_001742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001742?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.