![N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline structure](/static/products/4000/400074-68-2.webp)
N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline
TL;DR: N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline (CAS 400074-68-2) is a chemical compound with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline
Also Known As: 11B-045, N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline, N-[2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)vinyl]aniline
| Molecular Formula | C14H17N3O2 |
|---|---|
| Molecular Weight | 259.13 g/mol |
| LogP | 3.2316 |
| Topological Polar Surface Area | 67.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.13208 |
| Heavy Atoms | 19 |
| Complexity | 494.67236 |
Chemical Identifiers
| CAS Number | 400074-68-2 |
|---|---|
| SMILES | C1CCC(=NCC1)/C(=C/NC2=CC=CC=C2)/[N+](=O)[O-] |
Product Overview
N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline (CAS 400074-68-2), with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol. IUPAC: N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline.
Chemical Property Profile of N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline
Property Insights of N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline
The XLogP value of 3.2316 indicates that N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline. Following Lipinski's Rule of Five, N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline has 1 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 N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline?
The CAS number of N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline is 400074-68-2.
What is the molecular formula of N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline?
The molecular formula of N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline is C14H17N3O2.
What is the molecular weight of N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline?
The molecular weight of N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline is 259.13 g/mol.
Where can I buy N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline?
You can request a quote for N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(Z)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethenyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.