![1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane structure](/static/products/5147/514799-66-7.webp)
1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane
TL;DR: 1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane (CAS 514799-66-7) is a chemical compound with molecular formula C15H18N4O4 and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanone
Also Known As: 1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane, azepan-1-yl-[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanone, 1-AZEPANYL{5-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]-2-FURYL}METHANONE, azepan-1-yl{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanone
| Molecular Formula | C15H18N4O4 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 2.4488 |
| Topological Polar Surface Area | 94.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.1328 |
| Heavy Atoms | 23 |
| Complexity | 697.9053 |
Chemical Identifiers
| CAS Number | 514799-66-7 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-] |
Product Overview
1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane (CAS 514799-66-7), with molecular formula C15H18N4O4 and molecular weight 318.13 g/mol. IUPAC: azepan-1-yl-[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanone.
Chemical Property Profile of 1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane
Property Insights of 1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane
The XLogP value of 2.4488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane. The TPSA of 94.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane. Following Lipinski's Rule of Five, 1-[5-({4-nitro-1H-pyrazol-1-yl}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-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane?
The CAS number of 1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane is 514799-66-7.
What is the molecular formula of 1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane?
The molecular formula of 1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane is C15H18N4O4.
What is the molecular weight of 1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane?
The molecular weight of 1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane is 318.13 g/mol.
Where can I buy 1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane?
You can request a quote for 1-[5-({4-nitro-1H-pyrazol-1-yl}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-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.