1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine
TL;DR: 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine (CAS 61212-70-2) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-dimethoxy-2-nitrophenyl)-pyrrolidin-1-ylmethanone
Also Known As: 1-{2-nitro-4,5-dimethoxybenzoyl}pyrrolidine, 1-{2-Nitro-4,5-dimethoxybenzoyl}, Pyrrolidine, 1-(4,5-dimethoxy-2-nitrobenzoyl)-, (4,5-dimethoxy-2-nitrophenyl)-pyrrolidin-1-ylmethanone, 1-(4,5-DIMETHOXY-2-NITROBENZOYL)PYRROLIDINE
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 61212-70-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)N2CCCC2)[N+](=O)[O-])OC |
| InChIKey | DHZACFKEJZIZNX-UHFFFAOYSA-N |
Product Overview
1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine (CAS 61212-70-2), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: (4,5-dimethoxy-2-nitrophenyl)-pyrrolidin-1-ylmethanone.
Chemical Property Profile of 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine
Property Insights of 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine. Following Lipinski's Rule of Five, 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine 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 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine?
The CAS number of 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine is 61212-70-2.
What is the molecular formula of 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine?
The molecular formula of 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine is C13H16N2O5.
What is the molecular weight of 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine?
The molecular weight of 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine is 280.11 g/mol.
Where can I buy 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine?
You can request a quote for 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine 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-4,5-dimethoxybenzoyl}pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-Nitro-4,5-dimethoxybenzoyl}pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.