Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate
TL;DR: Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate (CAS 329932-22-1) is a chemical compound with molecular formula C13H14N2O5 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate
Also Known As: methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate, BAS 00856771, methyl 3-nitro-5-(1-pyrrolidinylcarbonyl)benzoate, BIM-0000611.P001, methyl 5-nitro-3-(pyrrolidinylcarbonyl)benzoate
| Molecular Formula | C13H14N2O5 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.09027 |
| Heavy Atoms | 20 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 329932-22-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC2)[N+](=O)[O-] |
| InChIKey | ZBEMLXAPMNEZLX-UHFFFAOYSA-N |
Product Overview
Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate (CAS 329932-22-1), with molecular formula C13H14N2O5 and molecular weight 278.09 g/mol. IUPAC: methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate.
Chemical Property Profile of Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate
Property Insights of Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)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 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate?
The CAS number of Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate is 329932-22-1.
What is the molecular formula of Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate?
The molecular formula of Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate is C13H14N2O5.
What is the molecular weight of Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate?
The molecular weight of Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate is 278.09 g/mol.
Where can I buy Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate?
You can request a quote for Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.