![2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate structure](/static/products/405/405894-70-4.png)
2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
TL;DR: 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate (CAS 405894-70-4) is a chemical compound with molecular formula C23H18N2O7 and molecular weight 434.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-4-oxo-3,1-benzoxazin-6-yl] acetate
Also Known As: 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate, [2-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-4-oxo-3,1-benzoxazin-6-yl] acetate, 2-(1,3-dioxo-2-((tetrahydrofuran-2-yl)methyl)isoindolin-5-yl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate
| Molecular Formula | C23H18N2O7 |
|---|---|
| Molecular Weight | 434.11 g/mol |
| LogP | 2.5553 |
| Topological Polar Surface Area | 116.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.1114 |
| Heavy Atoms | 32 |
| Complexity | 1337.9146 |
Chemical Identifiers
| CAS Number | 405894-70-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5CCCO5 |
Product Overview
2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate (CAS 405894-70-4), with molecular formula C23H18N2O7 and molecular weight 434.11 g/mol. IUPAC: [2-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-4-oxo-3,1-benzoxazin-6-yl] acetate.
Chemical Property Profile of 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Property Insights of 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
The XLogP value of 2.5553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate. The TPSA of 116.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate. Following Lipinski's Rule of Five, 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate has 0 hydrogen bond donor(s) and 8 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-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The CAS number of 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate is 405894-70-4.
What is the molecular formula of 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The molecular formula of 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate is C23H18N2O7.
What is the molecular weight of 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The molecular weight of 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate is 434.11 g/mol.
Where can I buy 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
You can request a quote for 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate 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-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.