8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine
TL;DR: 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine (CAS 76220-89-8) is a chemical compound with molecular formula C13H12BrF6NO and molecular weight 391.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine
Also Known As: 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine, 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benz, 2H-3,1-Benzoxazine, 8-bromo-1,4-dihydro-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-, 8-Bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine
| Molecular Formula | C13H12BrF6NO |
|---|---|
| Molecular Weight | 391.00 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 391.00064 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 76220-89-8 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)Br)NC(OC2(C(F)(F)F)C(F)(F)F)(C)C |
| InChIKey | CQOBGHGVHBCYIR-UHFFFAOYSA-N |
Product Overview
8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine (CAS 76220-89-8), with molecular formula C13H12BrF6NO and molecular weight 391.00 g/mol. IUPAC: 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine.
Chemical Property Profile of 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine
Property Insights of 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine
The XLogP value of 5.2 indicates that 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine?
The CAS number of 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine is 76220-89-8.
What is the molecular formula of 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine?
The molecular formula of 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine is C13H12BrF6NO.
What is the molecular weight of 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine?
The molecular weight of 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine is 391.00 g/mol.
Where can I buy 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine?
You can request a quote for 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-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 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.