TimTec1_003990
TL;DR: TimTec1_003990 (CAS 182127-95-3) is a chemical compound with molecular formula C16H11F3N2OS and molecular weight 336.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-phenacylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: TimTec1_003990, 6-methyl-2-phenacylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile, A0032/0001434, 6-methyl-2-((2-oxo-2-phenylethyl)thio)-4-(trifluoromethyl)nicotinonitrile
| Molecular Formula | C16H11F3N2OS |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 79.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.0544 |
| Heavy Atoms | 23 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 182127-95-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)C2=CC=CC=C2)C#N)C(F)(F)F |
| InChIKey | MWPCBJICDKVVBM-UHFFFAOYSA-N |
Product Overview
TimTec1_003990 (CAS 182127-95-3), with molecular formula C16H11F3N2OS and molecular weight 336.05 g/mol. IUPAC: 6-methyl-2-phenacylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of TimTec1_003990
Property Insights of TimTec1_003990
The XLogP value of 4.1 indicates that TimTec1_003990 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.1 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_003990. Following Lipinski's Rule of Five, TimTec1_003990 has 0 hydrogen bond donor(s) and 7 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 TimTec1_003990?
The CAS number of TimTec1_003990 is 182127-95-3.
What is the molecular formula of TimTec1_003990?
The molecular formula of TimTec1_003990 is C16H11F3N2OS.
What is the molecular weight of TimTec1_003990?
The molecular weight of TimTec1_003990 is 336.05 g/mol.
Where can I buy TimTec1_003990?
You can request a quote for TimTec1_003990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_003990?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_003990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.