2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine
TL;DR: 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine (CAS 405919-98-4) is a chemical compound with molecular formula C11H9F6NO and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4,4-bis(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine
Also Known As: 2-methyl-4,4-bis(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine, 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 4,4-BIS -2,4-DIHYDRO-2-METHYL-1H-BENZO[D][1,3]OXAZINE, 4,4-BIS(TRIFLUOROMETHYL)-2,4-DIHYDRO-2-METHYL-1H-BENZO[D][1,3]OXAZINE, 2H-3,1-Benzoxazine,?1,4-dihydro-2-methyl-4,4-bis(trifluoromethyl)-?
| Molecular Formula | C11H9F6NO |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 3.7946 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 285.05884 |
| Heavy Atoms | 19 |
| Complexity | 466.80914 |
Chemical Identifiers
| CAS Number | 405919-98-4 |
|---|---|
| SMILES | CC1NC2=CC=CC=C2C(O1)(C(F)(F)F)C(F)(F)F |
Product Overview
2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine (CAS 405919-98-4), with molecular formula C11H9F6NO and molecular weight 285.06 g/mol. IUPAC: 2-methyl-4,4-bis(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine.
Chemical Property Profile of 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine
Property Insights of 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine
The XLogP value of 3.7946 indicates that 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine has 1 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-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine?
The CAS number of 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine is 405919-98-4.
What is the molecular formula of 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine?
The molecular formula of 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine is C11H9F6NO.
What is the molecular weight of 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine?
The molecular weight of 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine is 285.06 g/mol.
Where can I buy 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine?
You can request a quote for 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.