BAS 06901214
TL;DR: BAS 06901214 (CAS 625376-60-5) is a chemical compound with molecular formula C21H23F3N2OS and molecular weight 408.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-adamantyl)-2-(3-oxobutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: BAS 06901214, 6-(1-adamantyl)-2-[(1-methyl-2-oxopropyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile, AM-807/41462115, 6-(1-adamantyl)-2-(3-oxobutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-(adamantan-1-yl)-2-[(3-oxobutan-2-yl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C21H23F3N2OS |
|---|---|
| Molecular Weight | 408.15 g/mol |
| LogP | 5.50948 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.14832 |
| Heavy Atoms | 28 |
| Complexity | 823.1481 |
Chemical Identifiers
| CAS Number | 625376-60-5 |
|---|---|
| SMILES | CC(C(=O)C)SC1=C(C(=CC(=N1)C23CC4CC(C2)CC(C4)C3)C(F)(F)F)C#N |
Product Overview
BAS 06901214 (CAS 625376-60-5), with molecular formula C21H23F3N2OS and molecular weight 408.15 g/mol. IUPAC: 6-(1-adamantyl)-2-(3-oxobutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of BAS 06901214
Property Insights of BAS 06901214
The XLogP value of 5.50948 indicates that BAS 06901214 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, BAS 06901214 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 06901214 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 BAS 06901214?
The CAS number of BAS 06901214 is 625376-60-5.
What is the molecular formula of BAS 06901214?
The molecular formula of BAS 06901214 is C21H23F3N2OS.
What is the molecular weight of BAS 06901214?
The molecular weight of BAS 06901214 is 408.15 g/mol.
Where can I buy BAS 06901214?
You can request a quote for BAS 06901214 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06901214?
Yes, KEHONG BIO provides custom synthesis services for BAS 06901214 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.