Bionet1_001278
TL;DR: Bionet1_001278 (CAS 339105-98-5) is a chemical compound with molecular formula C13H13ClF3N3O3 and molecular weight 351.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Also Known As: Bionet1_001278, ethyl 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylate, ethyl 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylate, ethyl 5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate, ethyl 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]methyl]-4,5-dihydroisoxazole-3-carboxylate
| Molecular Formula | C13H13ClF3N3O3 |
|---|---|
| Molecular Weight | 351.06 g/mol |
| LogP | 2.8737 |
| Topological Polar Surface Area | 72.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.05975 |
| Heavy Atoms | 23 |
| Complexity | 622.2177 |
Chemical Identifiers
| CAS Number | 339105-98-5 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(C1)CNC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
Bionet1_001278 (CAS 339105-98-5), with molecular formula C13H13ClF3N3O3 and molecular weight 351.06 g/mol. IUPAC: ethyl 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Bionet1_001278
Property Insights of Bionet1_001278
The XLogP value of 2.8737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_001278. The TPSA of 72.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_001278. Following Lipinski's Rule of Five, Bionet1_001278 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 Bionet1_001278?
The CAS number of Bionet1_001278 is 339105-98-5.
What is the molecular formula of Bionet1_001278?
The molecular formula of Bionet1_001278 is C13H13ClF3N3O3.
What is the molecular weight of Bionet1_001278?
The molecular weight of Bionet1_001278 is 351.06 g/mol.
Where can I buy Bionet1_001278?
You can request a quote for Bionet1_001278 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001278?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001278 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.