2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl-
TL;DR: 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl- (CAS 55955-97-0) is a chemical compound with molecular formula C18H21NO and molecular weight 267.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
Also Known As: 3-Phenyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine, 6-tert-Butyl-3-phenyl-3,4-dihydro-2H-1,3-benzoxazine, 6-tert-butyl-3-phenyl-2,4-dihydro-1,3-benzoxazine, 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl-, 6-tert-Butyl-3-phenyl-3,4-dihydro-2H-1,3-benzoxazine #
| Molecular Formula | C18H21NO |
|---|---|
| Molecular Weight | 267.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.16232 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 55955-97-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OCN(C2)C3=CC=CC=C3 |
| InChIKey | INQHAWUMPJGNOM-UHFFFAOYSA-N |
Product Overview
2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl- (CAS 55955-97-0), with molecular formula C18H21NO and molecular weight 267.16 g/mol. IUPAC: 6-tert-butyl-3-phenyl-2,4-dihydro-1,3-benzoxazine.
Chemical Property Profile of 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl-
Property Insights of 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl-
The XLogP value of 5.1 indicates that 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl-?
The CAS number of 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl- is 55955-97-0.
What is the molecular formula of 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl-?
The molecular formula of 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl- is C18H21NO.
What is the molecular weight of 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl-?
The molecular weight of 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl- is 267.16 g/mol.
Where can I buy 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl-?
You can request a quote for 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.