Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate
TL;DR: Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate (CAS 259269-68-6) 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.
methyl 5-nitro-2-pyrrolidin-1-ylbenzoate
Also Known As: methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate, Maybridge1_007864, methyl 5-nitro-2-pyrrolidin-1-ylbenzoate, methyl 5-nitro-2-pyrrolidinylbenzoate, Methyl 5-nitro-2-(1-pyrrolidinyl)-benzenecarboxylate
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 1.9816 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 480.9658 |
Chemical Identifiers
| CAS Number | 259269-68-6 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2 |
Product Overview
Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate (CAS 259269-68-6), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: methyl 5-nitro-2-pyrrolidin-1-ylbenzoate.
Chemical Property Profile of Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate
Property Insights of Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate
The XLogP value of 1.9816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate. Following Lipinski's Rule of Five, Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate 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 Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate?
The CAS number of Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate is 259269-68-6.
What is the molecular formula of Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate?
The molecular formula of Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate is C12H14N2O4.
What is the molecular weight of Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate?
The molecular weight of Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate is 250.10 g/mol.
Where can I buy Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate?
You can request a quote for Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.