Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate
TL;DR: Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate (CAS 10420-70-9) is a chemical compound with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate
Also Known As: methyl 1-(2,4-dinitrophenyl)prolinate, Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate, methyl1-(2,4-dinitrophenyl)prolinate, Methyl (2,4-dinitrophenyl)-L-prolinate, proline, 1-(2,4-dinitrophenyl)-, methyl ester
| Molecular Formula | C12H13N3O6 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 1.6448 |
| Topological Polar Surface Area | 115.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.08044 |
| Heavy Atoms | 21 |
| Complexity | 602.6556 |
Chemical Identifiers
| CAS Number | 10420-70-9 |
|---|---|
| SMILES | COC(=O)C1CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate (CAS 10420-70-9), with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol. IUPAC: methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate.
Chemical Property Profile of Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate
Property Insights of Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate
The XLogP value of 1.6448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate. The TPSA of 115.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate. Following Lipinski's Rule of Five, Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate has 0 hydrogen bond donor(s) and 7 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 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate?
The CAS number of Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate is 10420-70-9.
What is the molecular formula of Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate?
The molecular formula of Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate is C12H13N3O6.
What is the molecular weight of Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate?
The molecular weight of Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate is 295.08 g/mol.
Where can I buy Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate?
You can request a quote for Methyl 1-(2,4-dinitrophenyl)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 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.