![ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate structure](/static/products/4391/439112-01-3.webp)
ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
TL;DR: ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate (CAS 439112-01-3) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate
Also Known As: ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate, ethyl 2-[4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate, ethyl2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.35602 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 769.52057 |
Chemical Identifiers
| CAS Number | 439112-01-3 |
|---|---|
| SMILES | CCOC(=O)CC1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)C |
Product Overview
ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate (CAS 439112-01-3), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: ethyl 2-[4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate.
Chemical Property Profile of ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
Property Insights of ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
The XLogP value of 3.35602 indicates that ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate has 0 hydrogen bond donor(s) and 4 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 ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
The CAS number of ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate is 439112-01-3.
What is the molecular formula of ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
The molecular formula of ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate is C20H21NO4.
What is the molecular weight of ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
The molecular weight of ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate is 339.15 g/mol.
Where can I buy ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
You can request a quote for ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[4-(4-methylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.