Bionet1_004923
TL;DR: Bionet1_004923 (CAS 955975-42-5) is a chemical compound with molecular formula C16H13F3N4O2S and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
Also Known As: Bionet1_004923, MixCom3_000211, ethyl 1-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, 1T-0803, ethyl 1-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
| Molecular Formula | C16H13F3N4O2S |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | 3.7735 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.07114 |
| Heavy Atoms | 26 |
| Complexity | 949.1206 |
Chemical Identifiers
| CAS Number | 955975-42-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC(=CC=C3)N)C(F)(F)F |
Product Overview
Bionet1_004923 (CAS 955975-42-5), with molecular formula C16H13F3N4O2S and molecular weight 382.07 g/mol. IUPAC: ethyl 1-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate.
Chemical Property Profile of Bionet1_004923
Property Insights of Bionet1_004923
The XLogP value of 3.7735 indicates that Bionet1_004923 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004923. Following Lipinski's Rule of Five, Bionet1_004923 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_004923?
The CAS number of Bionet1_004923 is 955975-42-5.
What is the molecular formula of Bionet1_004923?
The molecular formula of Bionet1_004923 is C16H13F3N4O2S.
What is the molecular weight of Bionet1_004923?
The molecular weight of Bionet1_004923 is 382.07 g/mol.
Where can I buy Bionet1_004923?
You can request a quote for Bionet1_004923 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004923?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.