C16H14ClF3N2O2S
TL;DR: C16H14ClF3N2O2S (CAS 870149-19-2) is a chemical compound with molecular formula C16H14ClF3N2O2S and molecular weight 390.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoyl chloride
Also Known As: 4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanoyl chloride, 4-((4-(2-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)butanoyl chloride, 4-[4-(2-Methoxy-phenyl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-butyryl chloride, 4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoyl chloride,
4-[4-(2-Methoxy-phenyl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-butyryl c hloride
| Molecular Formula | C16H14ClF3N2O2S |
|---|---|
| Molecular Weight | 390.04 g/mol |
| LogP | 4.8087 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.04166 |
| Heavy Atoms | 25 |
| Complexity | 756.39996 |
Chemical Identifiers
| CAS Number | 870149-19-2 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=CC(=NC(=N2)SCCCC(=O)Cl)C(F)(F)F |
Product Overview
C16H14ClF3N2O2S (CAS 870149-19-2), with molecular formula C16H14ClF3N2O2S and molecular weight 390.04 g/mol. IUPAC: 4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoyl chloride.
Chemical Property Profile of C16H14ClF3N2O2S
Property Insights of C16H14ClF3N2O2S
The XLogP value of 4.8087 indicates that C16H14ClF3N2O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, C16H14ClF3N2O2S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H14ClF3N2O2S 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 C16H14ClF3N2O2S?
The CAS number of C16H14ClF3N2O2S is 870149-19-2.
What is the molecular formula of C16H14ClF3N2O2S?
The molecular formula of C16H14ClF3N2O2S is C16H14ClF3N2O2S.
What is the molecular weight of C16H14ClF3N2O2S?
The molecular weight of C16H14ClF3N2O2S is 390.04 g/mol.
Where can I buy C16H14ClF3N2O2S?
You can request a quote for C16H14ClF3N2O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H14ClF3N2O2S?
Yes, KEHONG BIO provides custom synthesis services for C16H14ClF3N2O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.