A0032/0001424
TL;DR: A0032/0001424 (CAS 299198-17-7) is a chemical compound with molecular formula C23H21F3N2OS2 and molecular weight 462.10 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-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: A0032/0001424, 2-(2-adamantanyl-2-oxoethylthio)-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-c arbonitrile, 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile, 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile, 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C23H21F3N2OS2 |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 6.57818 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.10474 |
| Heavy Atoms | 31 |
| Complexity | 1020.72015 |
Chemical Identifiers
| CAS Number | 299198-17-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C(=CC(=N4)C5=CC=CS5)C(F)(F)F)C#N |
Product Overview
A0032/0001424 (CAS 299198-17-7), with molecular formula C23H21F3N2OS2 and molecular weight 462.10 g/mol. IUPAC: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of A0032/0001424
Property Insights of A0032/0001424
The XLogP value of 6.57818 indicates that A0032/0001424 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, A0032/0001424 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A0032/0001424 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0032/0001424?
The CAS number of A0032/0001424 is 299198-17-7.
What is the molecular formula of A0032/0001424?
The molecular formula of A0032/0001424 is C23H21F3N2OS2.
What is the molecular weight of A0032/0001424?
The molecular weight of A0032/0001424 is 462.10 g/mol.
Where can I buy A0032/0001424?
You can request a quote for A0032/0001424 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0032/0001424?
Yes, KEHONG BIO provides custom synthesis services for A0032/0001424 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.