N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride
TL;DR: N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride (CAS 113045-27-5) is a chemical compound with molecular formula C22H24ClN3O4 and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-nitroisoindole-1,3-dione;hydrochloride
Also Known As: N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride, 1H-Isoindole-1,3(2H)-dione, 5-nitro-2-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-, monohydrochloride, 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-nitroisoindole-1,3-dione hydrochloride, 2-[2-(1-Benzylpiperidin-4-yl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione--hydrogen chloride (1/1), RefChem:239365
| Molecular Formula | C22H24ClN3O4 |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 3.9149 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.14554 |
| Heavy Atoms | 30 |
| Complexity | 942.65375 |
Chemical Identifiers
| CAS Number | 113045-27-5 |
|---|---|
| SMILES | C1CN(CCC1CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4.Cl |
Product Overview
N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride (CAS 113045-27-5), with molecular formula C22H24ClN3O4 and molecular weight 429.15 g/mol. IUPAC: 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-nitroisoindole-1,3-dione;hydrochloride.
Chemical Property Profile of N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride
Property Insights of N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride
The XLogP value of 3.9149 indicates that N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride. Following Lipinski's Rule of Five, N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride 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 N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride?
The CAS number of N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride is 113045-27-5.
What is the molecular formula of N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride?
The molecular formula of N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride is C22H24ClN3O4.
What is the molecular weight of N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride?
The molecular weight of N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride is 429.15 g/mol.
Where can I buy N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride?
You can request a quote for N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(N'-Benzylpiperidino-4)ethyl)-4-nitrophthalimide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.