![2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one structure](/static/products/170/170708-92-6.png)
2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one
TL;DR: 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one (CAS 170708-92-6) is a chemical compound with molecular formula C18H15NO6 and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-nitro-2,3-dihydrochromen-4-one
Also Known As: 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one, 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-nitro-2,3-dihydro-4H-chromen-4-one, 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-nitro-2,3-dihydrochromen-4-one
| Molecular Formula | C18H15NO6 |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 3.4626 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.08994 |
| Heavy Atoms | 25 |
| Complexity | 862.63995 |
Chemical Identifiers
| CAS Number | 170708-92-6 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)C3CC(=O)C4=C(O3)C=CC(=C4)[N+](=O)[O-])OC1 |
Product Overview
2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one (CAS 170708-92-6), with molecular formula C18H15NO6 and molecular weight 341.09 g/mol. IUPAC: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-nitro-2,3-dihydrochromen-4-one.
Chemical Property Profile of 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one
Property Insights of 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one
The XLogP value of 3.4626 indicates that 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one. Following Lipinski's Rule of Five, 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-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-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one?
The CAS number of 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one is 170708-92-6.
What is the molecular formula of 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one?
The molecular formula of 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one is C18H15NO6.
What is the molecular weight of 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one?
The molecular weight of 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one is 341.09 g/mol.
Where can I buy 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one?
You can request a quote for 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-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-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-nitrochroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.