![1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one structure](/static/products/7237/7237-21-0.webp)
1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one
TL;DR: 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one (CAS 7237-21-0) is a chemical compound with molecular formula C18H25NO2 and molecular weight 287.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-tert-butyl-4-prop-1-en-2-yl-2,4-dihydro-3,1-benzoxazin-1-yl)propan-1-one
Also Known As: 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one, 1-(2-tert-butyl-4-prop-1-en-2-yl-2,4-dihydro-3,1-benzoxazin-1-yl)propan-1-one, 1-(7-prop-1-en-2-yl-9-tert-butyl-8-oxa-10-azabicyclo[4.4.0]deca-1,3,5-trien-10-yl)propan-1-one
| Molecular Formula | C18H25NO2 |
|---|---|
| Molecular Weight | 287.19 g/mol |
| LogP | 4.4492 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.18854 |
| Heavy Atoms | 21 |
| Complexity | 556.5819 |
Chemical Identifiers
| CAS Number | 7237-21-0 |
|---|---|
| SMILES | CCC(=O)N1C(OC(C2=CC=CC=C21)C(=C)C)C(C)(C)C |
Product Overview
1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one (CAS 7237-21-0), with molecular formula C18H25NO2 and molecular weight 287.19 g/mol. IUPAC: 1-(2-tert-butyl-4-prop-1-en-2-yl-2,4-dihydro-3,1-benzoxazin-1-yl)propan-1-one.
Chemical Property Profile of 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one
Property Insights of 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one
The XLogP value of 4.4492 indicates that 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one 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 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one?
The CAS number of 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one is 7237-21-0.
What is the molecular formula of 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one?
The molecular formula of 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one is C18H25NO2.
What is the molecular weight of 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one?
The molecular weight of 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one is 287.19 g/mol.
Where can I buy 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one?
You can request a quote for 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-tert-Butyl-4-(prop-1-en-2-yl)-2H-3,1-benzoxazin-1(4H)-yl]propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.