2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride
TL;DR: 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride (CAS 827035-60-9) is a chemical compound with molecular formula C13H19ClN4O2 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-5-piperazin-1-yl-N-prop-2-enylaniline;hydrochloride
Also Known As: allyl(2-nitro-5-piperazin-1-ylphenyl)amine, N-allyl-2-nitro-5-piperazin-1-ylaniline hydrochloride, 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride, 2-nitro-5-piperazin-1-yl-N-prop-2-enylaniline;hydrochloride, N-allyl-2-nitro-5-piperazin-1-yl-aniline;hydrochloride
| Molecular Formula | C13H19ClN4O2 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 2.0241 |
| Topological Polar Surface Area | 70.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.11966 |
| Heavy Atoms | 20 |
| Complexity | 475.439 |
Chemical Identifiers
| CAS Number | 827035-60-9 |
|---|---|
| SMILES | C=CCNC1=C(C=CC(=C1)N2CCNCC2)[N+](=O)[O-].Cl |
Product Overview
2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride (CAS 827035-60-9), with molecular formula C13H19ClN4O2 and molecular weight 298.12 g/mol. IUPAC: 2-nitro-5-piperazin-1-yl-N-prop-2-enylaniline;hydrochloride.
Chemical Property Profile of 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride
Property Insights of 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride
The XLogP value of 2.0241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride. The TPSA of 70.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride. Following Lipinski's Rule of Five, 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride has 2 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 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride?
The CAS number of 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride is 827035-60-9.
What is the molecular formula of 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride?
The molecular formula of 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride is C13H19ClN4O2.
What is the molecular weight of 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride?
The molecular weight of 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride is 298.12 g/mol.
Where can I buy 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride?
You can request a quote for 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.