3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
TL;DR: 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine (CAS 478048-77-0) is a chemical compound with molecular formula C13H19NO and molecular weight 205.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
Also Known As: 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine, 3-(tert-butyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
| Molecular Formula | C13H19NO |
|---|---|
| Molecular Weight | 205.15 g/mol |
| LogP | 3.21402 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.14667 |
| Heavy Atoms | 15 |
| Complexity | 365.28897 |
Chemical Identifiers
| CAS Number | 478048-77-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCC(N2)C(C)(C)C |
Product Overview
3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine (CAS 478048-77-0), with molecular formula C13H19NO and molecular weight 205.15 g/mol. IUPAC: 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine.
Chemical Property Profile of 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
Property Insights of 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
The XLogP value of 3.21402 indicates that 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-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, 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-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 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The CAS number of 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine is 478048-77-0.
What is the molecular formula of 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The molecular formula of 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine is C13H19NO.
What is the molecular weight of 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The molecular weight of 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine is 205.15 g/mol.
Where can I buy 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
You can request a quote for 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.