1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane
TL;DR: 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane (CAS 701920-52-7) is a chemical compound with molecular formula C16H19N3O2 and molecular weight 285.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitro-4-pyrrol-1-ylphenyl)azepane
Also Known As: 1-(2-nitro-4-pyrrol-1-ylphenyl)azepane, 1-(2-nitro-4-(1H-pyrrol-1-yl)phenyl)azepane, 1-[2-nitro-4-(1H-pyrrol-1-yl)phenyl]azepane, (2-nitro-4-pyrrolylphenyl)azaperhydroepine, AS-871/43476272
| Molecular Formula | C16H19N3O2 |
|---|---|
| Molecular Weight | 285.15 g/mol |
| LogP | 3.7659 |
| Topological Polar Surface Area | 51.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.14774 |
| Heavy Atoms | 21 |
| Complexity | 614.4573 |
Chemical Identifiers
| CAS Number | 701920-52-7 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(C=C(C=C2)N3C=CC=C3)[N+](=O)[O-] |
Product Overview
1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane (CAS 701920-52-7), with molecular formula C16H19N3O2 and molecular weight 285.15 g/mol. IUPAC: 1-(2-nitro-4-pyrrol-1-ylphenyl)azepane.
Chemical Property Profile of 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane
Property Insights of 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane
The XLogP value of 3.7659 indicates that 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.31 Ų, 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane has 0 hydrogen bond donor(s) and 3 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-(2-Nitro-4-pyrrol-1-ylphenyl)azepane?
The CAS number of 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane is 701920-52-7.
What is the molecular formula of 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane?
The molecular formula of 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane is C16H19N3O2.
What is the molecular weight of 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane?
The molecular weight of 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane is 285.15 g/mol.
Where can I buy 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane?
You can request a quote for 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Nitro-4-pyrrol-1-ylphenyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.