2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine
TL;DR: 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine (CAS 400074-01-3) is a chemical compound with molecular formula C18H18F3NO and molecular weight 321.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)spiro[3,1-benzoxazine-4,2'-adamantane]
Also Known As: 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine, 2'-(trifluoromethyl)spiro[adamantane-2,4'-[3,1]benzoxazine], 2-(trifluoromethyl)spiro[3,1-benzoxazine-4,2'-adamantane], 10D-552
| Molecular Formula | C18H18F3NO |
|---|---|
| Molecular Weight | 321.13 g/mol |
| LogP | 4.9605 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.13406 |
| Heavy Atoms | 23 |
| Complexity | 665.75226 |
Chemical Identifiers
| CAS Number | 400074-01-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C34C5=CC=CC=C5N=C(O4)C(F)(F)F |
Product Overview
2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine (CAS 400074-01-3), with molecular formula C18H18F3NO and molecular weight 321.13 g/mol. IUPAC: 2-(trifluoromethyl)spiro[3,1-benzoxazine-4,2'-adamantane].
Chemical Property Profile of 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine
Property Insights of 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine
The XLogP value of 4.9605 indicates that 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.59 Ų, 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine has 0 hydrogen bond donor(s) and 2 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 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine?
The CAS number of 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine is 400074-01-3.
What is the molecular formula of 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine?
The molecular formula of 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine is C18H18F3NO.
What is the molecular weight of 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine?
The molecular weight of 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine is 321.13 g/mol.
Where can I buy 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine?
You can request a quote for 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Trifluoromethyl-5,5-spiro-(2-adamantyl)benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.