ChemDiv1_017693
TL;DR: ChemDiv1_017693 (CAS 331984-49-7) is a chemical compound with molecular formula C16H10BrF3N2OS and molecular weight 413.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: ChemDiv1_017693, BAS 00732373, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(trifluoromethyl)nicotinonitrile, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C16H10BrF3N2OS |
|---|---|
| Molecular Weight | 413.96 g/mol |
| LogP | 5.018 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.96494 |
| Heavy Atoms | 24 |
| Complexity | 813.79785 |
Chemical Identifiers
| CAS Number | 331984-49-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)C2=CC=C(C=C2)Br)C#N)C(F)(F)F |
Product Overview
ChemDiv1_017693 (CAS 331984-49-7), with molecular formula C16H10BrF3N2OS and molecular weight 413.96 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of ChemDiv1_017693
Property Insights of ChemDiv1_017693
The XLogP value of 5.018 indicates that ChemDiv1_017693 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, ChemDiv1_017693 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_017693 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_017693?
The CAS number of ChemDiv1_017693 is 331984-49-7.
What is the molecular formula of ChemDiv1_017693?
The molecular formula of ChemDiv1_017693 is C16H10BrF3N2OS.
What is the molecular weight of ChemDiv1_017693?
The molecular weight of ChemDiv1_017693 is 413.96 g/mol.
Where can I buy ChemDiv1_017693?
You can request a quote for ChemDiv1_017693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017693?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.