methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate
TL;DR: methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate (CAS 218631-87-9) 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 (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate
Also Known As: 1-(4-nitrobenzoyl)Proline methyl ester, methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate, Methyl 1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate
| Molecular Formula | C13H14N2O5 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 1.3724 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.09027 |
| Heavy Atoms | 20 |
| Complexity | 540.19745 |
Chemical Identifiers
| CAS Number | 218631-87-9 |
|---|---|
| SMILES | COC(=O)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate (CAS 218631-87-9), with molecular formula C13H14N2O5 and molecular weight 278.09 g/mol. IUPAC: methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate.
Chemical Property Profile of methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate
Property Insights of methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate
The XLogP value of 1.3724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate. Following Lipinski's Rule of Five, methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate 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 (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate?
The CAS number of methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate is 218631-87-9.
What is the molecular formula of methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate?
The molecular formula of methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate is C13H14N2O5.
What is the molecular weight of methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate?
The molecular weight of methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate is 278.09 g/mol.
Where can I buy methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate?
You can request a quote for methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.