![3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate structure](/static/products/170/170708-74-4.png)
3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate
TL;DR: 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate (CAS 170708-74-4) is a chemical compound with molecular formula C23H20O8 and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-acetyloxy-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl] acetate
Also Known As: 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate, [8-acetyloxy-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl] acetate
| Molecular Formula | C23H20O8 |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 3.78032 |
| Topological Polar Surface Area | 101.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.1158 |
| Heavy Atoms | 31 |
| Complexity | 1254.6466 |
Chemical Identifiers
| CAS Number | 170708-74-4 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C)OC(=O)C)C3=CC4=C(C=C3)OCCCO4 |
Product Overview
3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate (CAS 170708-74-4), with molecular formula C23H20O8 and molecular weight 424.12 g/mol. IUPAC: [8-acetyloxy-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl] acetate.
Chemical Property Profile of 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate
Property Insights of 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate
The XLogP value of 3.78032 indicates that 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate. Following Lipinski's Rule of Five, 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate 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 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate?
The CAS number of 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate is 170708-74-4.
What is the molecular formula of 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate?
The molecular formula of 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate is C23H20O8.
What is the molecular weight of 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate?
The molecular weight of 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate is 424.12 g/mol.
Where can I buy 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate?
You can request a quote for 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromene-7,8-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.