1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride
TL;DR: 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride (CAS 696640-58-1) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methoxy-5-nitrophenyl)methyl]pyrrolidin-2-one
Also Known As: 1-(2-methoxy-5-nitrobenzyl)pyrrolidin-2-one, 1-(2-methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride, 1-[(2-methoxy-5-nitrophenyl)methyl]pyrrolidin-2-one, A3455/0146706
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 1.7258 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 486.9658 |
Chemical Identifiers
| CAS Number | 696640-58-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCCC2=O |
Product Overview
1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride (CAS 696640-58-1), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: 1-[(2-methoxy-5-nitrophenyl)methyl]pyrrolidin-2-one.
Chemical Property Profile of 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride
Property Insights of 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride
The XLogP value of 1.7258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride. Following Lipinski's Rule of Five, 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride has 0 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 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride?
The CAS number of 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride is 696640-58-1.
What is the molecular formula of 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride?
The molecular formula of 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride is C12H14N2O4.
What is the molecular weight of 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride?
The molecular weight of 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride is 250.10 g/mol.
Where can I buy 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride?
You can request a quote for 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methoxy-5-nitrobenzyl)pyrrolidin-2-one hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.