2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
TL;DR: 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one (CAS 6453-32-3) is a chemical compound with molecular formula C23H17NO6 and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-2H-3,1-benzoxazin-4-one
Also Known As: 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one, 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-2H-3,1-benzoxazin-4-one, 2-(2H-1,3-Benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
| Molecular Formula | C23H17NO6 |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 3.9399 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.1056 |
| Heavy Atoms | 30 |
| Complexity | 1140.6852 |
Chemical Identifiers
| CAS Number | 6453-32-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)N2C(OC(=O)C3=CC=CC=C32)C4=CC5=C(C=C4)OCO5 |
Product Overview
2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one (CAS 6453-32-3), with molecular formula C23H17NO6 and molecular weight 403.11 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-2H-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
Property Insights of 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
The XLogP value of 3.9399 indicates that 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 6 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 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one?
The CAS number of 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one is 6453-32-3.
What is the molecular formula of 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one?
The molecular formula of 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one is C23H17NO6.
What is the molecular weight of 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one?
The molecular weight of 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one is 403.11 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one?
You can request a quote for 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-yl)-1-(4-methoxybenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.