Bionet1_001548
TL;DR: Bionet1_001548 (CAS 339101-79-0) is a chemical compound with molecular formula C13H9ClF4N2OS and molecular weight 352.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
Also Known As: Bionet1_001548, 8J-524S, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-methyl-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
| Molecular Formula | C13H9ClF4N2OS |
|---|---|
| Molecular Weight | 352.01 g/mol |
| LogP | 3.8839 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.006 |
| Heavy Atoms | 22 |
| Complexity | 740.4309 |
Chemical Identifiers
| CAS Number | 339101-79-0 |
|---|---|
| SMILES | CN1C(=O)C=C(N=C1SCC2=C(C=CC=C2Cl)F)C(F)(F)F |
Product Overview
Bionet1_001548 (CAS 339101-79-0), with molecular formula C13H9ClF4N2OS and molecular weight 352.01 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one.
Chemical Property Profile of Bionet1_001548
Property Insights of Bionet1_001548
The XLogP value of 3.8839 indicates that Bionet1_001548 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, Bionet1_001548 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_001548 has 0 hydrogen bond donor(s) and 3 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_001548?
The CAS number of Bionet1_001548 is 339101-79-0.
What is the molecular formula of Bionet1_001548?
The molecular formula of Bionet1_001548 is C13H9ClF4N2OS.
What is the molecular weight of Bionet1_001548?
The molecular weight of Bionet1_001548 is 352.01 g/mol.
Where can I buy Bionet1_001548?
You can request a quote for Bionet1_001548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001548?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.