![methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate structure](/static/products/861/861209-29-2.png)
methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate
TL;DR: methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate (CAS 861209-29-2) is a chemical compound with molecular formula C22H25NO4 and molecular weight 367.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(4-tert-butylbenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate
Also Known As: methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate, methyl 2-[4-(4-tert-butylbenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate, methyl 2-[4-(4-tert-butylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate, Methyl 2-{4-[4-(t-butyl)benZoyl]-3,4-dihydro-2H-1,4-benZoxaZin-3-yl}acetate, methyl2-[4-(4-tert-butylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
| Molecular Formula | C22H25NO4 |
|---|---|
| Molecular Weight | 367.18 g/mol |
| LogP | 3.955 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.17834 |
| Heavy Atoms | 27 |
| Complexity | 836.1364 |
Chemical Identifiers
| CAS Number | 861209-29-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(COC3=CC=CC=C32)CC(=O)OC |
Product Overview
methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate (CAS 861209-29-2), with molecular formula C22H25NO4 and molecular weight 367.18 g/mol. IUPAC: methyl 2-[4-(4-tert-butylbenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate.
Chemical Property Profile of methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate
Property Insights of methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate
The XLogP value of 3.955 indicates that methyl 2-{4-[4-(tert-butyl)benzoyl]-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, methyl 2-{4-[4-(tert-butyl)benzoyl]-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, methyl 2-{4-[4-(tert-butyl)benzoyl]-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 methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate?
The CAS number of methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate is 861209-29-2.
What is the molecular formula of methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate?
The molecular formula of methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate is C22H25NO4.
What is the molecular weight of methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate?
The molecular weight of methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate is 367.18 g/mol.
Where can I buy methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate?
You can request a quote for methyl 2-{4-[4-(tert-butyl)benzoyl]-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 methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.