![methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate structure](/static/products/4390/439096-44-3.webp)
methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
TL;DR: methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate (CAS 439096-44-3) is a chemical compound with molecular formula C21H23NO7 and molecular weight 401.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate
Also Known As: methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate, methyl 2-[4-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate, methyl2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
| Molecular Formula | C21H23NO7 |
|---|---|
| Molecular Weight | 401.15 g/mol |
| LogP | 2.6833 |
| Topological Polar Surface Area | 83.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.14746 |
| Heavy Atoms | 29 |
| Complexity | 886.64777 |
Chemical Identifiers
| CAS Number | 439096-44-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2C(COC3=CC=CC=C32)CC(=O)OC |
Product Overview
methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate (CAS 439096-44-3), with molecular formula C21H23NO7 and molecular weight 401.15 g/mol. IUPAC: methyl 2-[4-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate.
Chemical Property Profile of methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
Property Insights of methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
The XLogP value of 2.6833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate. The TPSA of 83.53 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate. Following Lipinski's Rule of Five, methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate has 0 hydrogen bond donor(s) and 7 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-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
The CAS number of methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate is 439096-44-3.
What is the molecular formula of methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
The molecular formula of methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate is C21H23NO7.
What is the molecular weight of methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
The molecular weight of methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate is 401.15 g/mol.
Where can I buy methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
You can request a quote for methyl 2-[4-(3,4,5-trimethoxybenzoyl)-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-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.