![9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one structure](/static/products/368/368839-77-4.png)
9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one
TL;DR: 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one (CAS 368839-77-4) is a chemical compound with molecular formula C18H13NO6 and molecular weight 339.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-nitrophenyl)-3,4-dihydro-2H-pyrano[3,2-i][1,5]benzodioxepin-8-one
Also Known As: 9-(4-nitrophenyl)-3,4-dihydro-[1,4]dioxepino[2,3-h]chromen-8(2H)-one, 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one, 9-(4-nitrophenyl)-3,4-dihydro-2H-pyrano[3,2-i][1,5]benzodioxepin-8-one
| Molecular Formula | C18H13NO6 |
|---|---|
| Molecular Weight | 339.07 g/mol |
| LogP | 3.5295 |
| Topological Polar Surface Area | 91.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.07428 |
| Heavy Atoms | 25 |
| Complexity | 1022.156 |
Chemical Identifiers
| CAS Number | 368839-77-4 |
|---|---|
| SMILES | C1COC2=C(C3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)[N+](=O)[O-])OC1 |
Product Overview
9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one (CAS 368839-77-4), with molecular formula C18H13NO6 and molecular weight 339.07 g/mol. IUPAC: 9-(4-nitrophenyl)-3,4-dihydro-2H-pyrano[3,2-i][1,5]benzodioxepin-8-one.
Chemical Property Profile of 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one
Property Insights of 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one
The XLogP value of 3.5295 indicates that 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one. Following Lipinski's Rule of Five, 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-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 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one?
The CAS number of 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one is 368839-77-4.
What is the molecular formula of 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one?
The molecular formula of 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one is C18H13NO6.
What is the molecular weight of 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one?
The molecular weight of 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one is 339.07 g/mol.
Where can I buy 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one?
You can request a quote for 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.