C16H11ClF3N3O2S
TL;DR: C16H11ClF3N3O2S (CAS 159885-63-9) is a chemical compound with molecular formula C16H11ClF3N3O2S and molecular weight 401.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
Also Known As: Ethyl 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, 5086AD, 7K-518S, Ethyl 1-(4-(4-chlorophenyl)thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, ethyl 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
| Molecular Formula | C16H11ClF3N3O2S |
|---|---|
| Molecular Weight | 401.02 g/mol |
| LogP | 4.8447 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.02127 |
| Heavy Atoms | 26 |
| Complexity | 935.1157 |
Chemical Identifiers
| CAS Number | 159885-63-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)Cl)C(F)(F)F |
Product Overview
C16H11ClF3N3O2S (CAS 159885-63-9), with molecular formula C16H11ClF3N3O2S and molecular weight 401.02 g/mol. IUPAC: ethyl 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate.
Chemical Property Profile of C16H11ClF3N3O2S
Property Insights of C16H11ClF3N3O2S
The XLogP value of 4.8447 indicates that C16H11ClF3N3O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, C16H11ClF3N3O2S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H11ClF3N3O2S has 0 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 C16H11ClF3N3O2S?
The CAS number of C16H11ClF3N3O2S is 159885-63-9.
What is the molecular formula of C16H11ClF3N3O2S?
The molecular formula of C16H11ClF3N3O2S is C16H11ClF3N3O2S.
What is the molecular weight of C16H11ClF3N3O2S?
The molecular weight of C16H11ClF3N3O2S is 401.02 g/mol.
Where can I buy C16H11ClF3N3O2S?
You can request a quote for C16H11ClF3N3O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H11ClF3N3O2S?
Yes, KEHONG BIO provides custom synthesis services for C16H11ClF3N3O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.