![2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide structure](/static/products/374/374701-49-2.png)
2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide
TL;DR: 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide (CAS 374701-49-2) is a chemical compound with molecular formula C22H21NO7 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxy-N-(hydroxymethyl)acetamide
Also Known As: 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide, 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxy-N-(hydroxymethyl)acetamide, 2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}-N-(hydroxymethyl)acetamide
| Molecular Formula | C22H21NO7 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 2.37452 |
| Topological Polar Surface Area | 107.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1318 |
| Heavy Atoms | 30 |
| Complexity | 1152.1666 |
Chemical Identifiers
| CAS Number | 374701-49-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NCO)C3=CC4=C(C=C3)OCCCO4 |
Product Overview
2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide (CAS 374701-49-2), with molecular formula C22H21NO7 and molecular weight 411.13 g/mol. IUPAC: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxy-N-(hydroxymethyl)acetamide.
Chemical Property Profile of 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide
Property Insights of 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide
The XLogP value of 2.37452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide. The TPSA of 107.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide. Following Lipinski's Rule of Five, 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide has 2 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 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide?
The CAS number of 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide is 374701-49-2.
What is the molecular formula of 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide?
The molecular formula of 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide is C22H21NO7.
What is the molecular weight of 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide?
The molecular weight of 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide is 411.13 g/mol.
Where can I buy 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide?
You can request a quote for 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-N-(hydroxymethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.