Bionet1_002051
TL;DR: Bionet1_002051 (CAS 159885-66-2) is a chemical compound with molecular formula C17H14F3N3O3S and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
Also Known As: Bionet1_002051, ethyl 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, 9K-309S, ethyl 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate, ethyl 1-[4-(4-methoxyphenyl)thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
| Molecular Formula | C17H14F3N3O3S |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 4.1999 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.0708 |
| Heavy Atoms | 27 |
| Complexity | 948.4821 |
Chemical Identifiers
| CAS Number | 159885-66-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)OC)C(F)(F)F |
Product Overview
Bionet1_002051 (CAS 159885-66-2), with molecular formula C17H14F3N3O3S and molecular weight 397.07 g/mol. IUPAC: ethyl 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate.
Chemical Property Profile of Bionet1_002051
Property Insights of Bionet1_002051
The XLogP value of 4.1999 indicates that Bionet1_002051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002051. Following Lipinski's Rule of Five, Bionet1_002051 has 0 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_002051?
The CAS number of Bionet1_002051 is 159885-66-2.
What is the molecular formula of Bionet1_002051?
The molecular formula of Bionet1_002051 is C17H14F3N3O3S.
What is the molecular weight of Bionet1_002051?
The molecular weight of Bionet1_002051 is 397.07 g/mol.
Where can I buy Bionet1_002051?
You can request a quote for Bionet1_002051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002051?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.