2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine
TL;DR: 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine (CAS 73150-61-5) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-4,7-dihydro-1,3-dioxepine
Also Known As: 2-(4-nitrophenyl)-4,7-dihydro-1,3-dioxepine, 1,3-Dioxepin, 4,7-dihydro-2-(4-nitrophenyl)-, 2-(4-NITROPHENYL)-4,7-DIHYDRO-2H-1,3-DIOXEPINE, RefChem:252771
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 2.1964 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 388.95053 |
Chemical Identifiers
| CAS Number | 73150-61-5 |
|---|---|
| SMILES | C1C=CCOC(O1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine (CAS 73150-61-5), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 2-(4-nitrophenyl)-4,7-dihydro-1,3-dioxepine.
Chemical Property Profile of 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine
Property Insights of 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine
The XLogP value of 2.1964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine has 0 hydrogen bond donor(s) and 4 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-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine?
The CAS number of 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine is 73150-61-5.
What is the molecular formula of 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine?
The molecular formula of 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine is C11H11NO4.
What is the molecular weight of 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine?
The molecular weight of 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine is 221.07 g/mol.
Where can I buy 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine?
You can request a quote for 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-4,7-dihydro-1,3-dioxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.