6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one (CAS 62380-08-9) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-4H-1,4-benzoxazin-3-one
Also Known As: butylbenzoxazinone, 6-(tert-butyl)-2H-1,4-benzoxazin-3(4H)-one, 6-(tert-Butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one, 6-tert-butyl-4H-1,4-benzoxazin-3-one, ChemDiv3_013257
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 2.315 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 404.57343 |
Chemical Identifiers
| CAS Number | 62380-08-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2 |
Product Overview
6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one (CAS 62380-08-9), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 6-tert-butyl-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 2.315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one. With a topological polar surface area (TPSA) of 38.33 Ų, 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one 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 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one is 62380-08-9.
What is the molecular formula of 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one is C12H15NO2.
What is the molecular weight of 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one is 205.11 g/mol.
Where can I buy 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.