Bionet1_003141
TL;DR: Bionet1_003141 (CAS 339019-46-4) is a chemical compound with molecular formula C15H13ClF3N3O2S and molecular weight 391.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-chloro-5-(trifluoromethyl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: Bionet1_003141, 7N-505S, ethyl 4-[2-chloro-5-(trifluoromethyl)anilino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate, ethyl 4-[2-chloro-5-(trifluoromethyl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate, ethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate
| Molecular Formula | C15H13ClF3N3O2S |
|---|---|
| Molecular Weight | 391.04 g/mol |
| LogP | 4.791 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.0369 |
| Heavy Atoms | 25 |
| Complexity | 787.1023 |
Chemical Identifiers
| CAS Number | 339019-46-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=C(C=CC(=C2)C(F)(F)F)Cl)SC |
Product Overview
Bionet1_003141 (CAS 339019-46-4), with molecular formula C15H13ClF3N3O2S and molecular weight 391.04 g/mol. IUPAC: ethyl 4-[2-chloro-5-(trifluoromethyl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of Bionet1_003141
Property Insights of Bionet1_003141
The XLogP value of 4.791 indicates that Bionet1_003141 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_003141. Following Lipinski's Rule of Five, Bionet1_003141 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_003141?
The CAS number of Bionet1_003141 is 339019-46-4.
What is the molecular formula of Bionet1_003141?
The molecular formula of Bionet1_003141 is C15H13ClF3N3O2S.
What is the molecular weight of Bionet1_003141?
The molecular weight of Bionet1_003141 is 391.04 g/mol.
Where can I buy Bionet1_003141?
You can request a quote for Bionet1_003141 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003141?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003141 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.