3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine
TL;DR: 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine (CAS 72410-91-4) is a chemical compound with molecular formula C19H23NO and molecular weight 281.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-tert-butyl-2,4-dihydro-1,3-benzoxazine
Also Known As: 3-benzyl-6-tert-butyl-2,4-dihydro-1,3-benzoxazine, 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine, 3-benzyl-6-(tert-butyl)-3,4-dihydro-2H-benzo[e][1,3]oxazine, 9-benzyl-3-tert-butyl-7-oxa-9-azabicyclo[4.4.0]deca-2,4,11-triene
| Molecular Formula | C19H23NO |
|---|---|
| Molecular Weight | 281.18 g/mol |
| LogP | 4.3362 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.17798 |
| Heavy Atoms | 21 |
| Complexity | 613.2086 |
Chemical Identifiers
| CAS Number | 72410-91-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OCN(C2)CC3=CC=CC=C3 |
Product Overview
3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine (CAS 72410-91-4), with molecular formula C19H23NO and molecular weight 281.18 g/mol. IUPAC: 3-benzyl-6-tert-butyl-2,4-dihydro-1,3-benzoxazine.
Chemical Property Profile of 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine
Property Insights of 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine
The XLogP value of 4.3362 indicates that 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-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 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine?
The CAS number of 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine is 72410-91-4.
What is the molecular formula of 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine?
The molecular formula of 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine is C19H23NO.
What is the molecular weight of 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine?
The molecular weight of 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine is 281.18 g/mol.
Where can I buy 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine?
You can request a quote for 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-6-tert-butyl-3,4-dihydro-2H-1,3-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.