![1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane structure](/static/products/4449/444934-46-7.webp)
1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane
TL;DR: 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane (CAS 444934-46-7) is a chemical compound with molecular formula C18H20N2O5 and molecular weight 344.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[5-[(2-nitrophenoxy)methyl]furan-2-yl]methanone
Also Known As: 1-[5-({2-Nitrophenoxy}, 1-[5-({2-nitrophenoxy}methyl)-2-furoyl]azepane, azepan-1-yl-[5-[(2-nitrophenoxy)methyl]furan-2-yl]methanone, azepan-1-yl{5-[(2-nitrophenoxy)methyl]furan-2-yl}methanone, 1-AZEPANYL{5-[(2-NITROPHENOXY)METHYL]-2-FURYL}METHANONE
| Molecular Formula | C18H20N2O5 |
|---|---|
| Molecular Weight | 344.14 g/mol |
| LogP | 3.783 |
| Topological Polar Surface Area | 85.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.1372 |
| Heavy Atoms | 25 |
| Complexity | 747.4296 |
Chemical Identifiers
| CAS Number | 444934-46-7 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC=C(O2)COC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane (CAS 444934-46-7), with molecular formula C18H20N2O5 and molecular weight 344.14 g/mol. IUPAC: azepan-1-yl-[5-[(2-nitrophenoxy)methyl]furan-2-yl]methanone.
Chemical Property Profile of 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane
Property Insights of 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane
The XLogP value of 3.783 indicates that 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane. Following Lipinski's Rule of Five, 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane has 0 hydrogen bond donor(s) and 5 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 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane?
The CAS number of 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane is 444934-46-7.
What is the molecular formula of 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane?
The molecular formula of 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane is C18H20N2O5.
What is the molecular weight of 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane?
The molecular weight of 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane is 344.14 g/mol.
Where can I buy 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane?
You can request a quote for 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-({2-Nitrophenoxy}methyl)-2-furoyl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.