ChemDiv1_010569
TL;DR: ChemDiv1_010569 (CAS 299198-62-2) is a chemical compound with molecular formula C20H21F3N2OS and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: ChemDiv1_010569, 6-Methyl-2-[(2-oxo-2-tricyclo[3.3.1.13,7]dec-1-ylethyl)thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile, A0040/0001629, 2-(2-Adamantan-1-yl-2-oxo-ethylsulfanyl)-6-methyl-4-trifluoromethyl-nicotinonitrile, 2-{[2-(ADAMANTAN-1-YL)-2-OXOETHYL]SULFANYL}-6-METHYL-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBONITRILE
| Molecular Formula | C20H21F3N2OS |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 5.1581 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.13266 |
| Heavy Atoms | 27 |
| Complexity | 792.4571 |
Chemical Identifiers
| CAS Number | 299198-62-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C(F)(F)F |
Product Overview
ChemDiv1_010569 (CAS 299198-62-2), with molecular formula C20H21F3N2OS and molecular weight 394.13 g/mol. IUPAC: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of ChemDiv1_010569
Property Insights of ChemDiv1_010569
The XLogP value of 5.1581 indicates that ChemDiv1_010569 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_010569 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_010569 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_010569?
The CAS number of ChemDiv1_010569 is 299198-62-2.
What is the molecular formula of ChemDiv1_010569?
The molecular formula of ChemDiv1_010569 is C20H21F3N2OS.
What is the molecular weight of ChemDiv1_010569?
The molecular weight of ChemDiv1_010569 is 394.13 g/mol.
Where can I buy ChemDiv1_010569?
You can request a quote for ChemDiv1_010569 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010569?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010569 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.