1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine
TL;DR: 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine (CAS 181995-72-2) is a chemical compound with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methoxy-2,4-dinitrophenyl)pyrrolidine
Also Known As: Maybridge1_006188, 1-(5-methoxy-2,4-dinitrophenyl)pyrrolidine, Pyrrolidine, 1-(5-methoxy-2,4-dinitrophenyl)-
| Molecular Formula | C11H13N3O5 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.1118 |
| Topological Polar Surface Area | 98.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.0855 |
| Heavy Atoms | 19 |
| Complexity | 525.30707 |
Chemical Identifiers
| CAS Number | 181995-72-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)N2CCCC2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine (CAS 181995-72-2), with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol. IUPAC: 1-(5-methoxy-2,4-dinitrophenyl)pyrrolidine.
Chemical Property Profile of 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine
Property Insights of 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine
The XLogP value of 2.1118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine. The TPSA of 98.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine. Following Lipinski's Rule of Five, 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine has 0 hydrogen bond donor(s) and 6 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-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine?
The CAS number of 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine is 181995-72-2.
What is the molecular formula of 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine?
The molecular formula of 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine is C11H13N3O5.
What is the molecular weight of 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine?
The molecular weight of 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine is 267.09 g/mol.
Where can I buy 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine?
You can request a quote for 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Methoxy-2,4-dinitrophenyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.