3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester)
TL;DR: 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester) (CAS 69552-16-5) is a chemical compound with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-1-[2-(4-nitrophenyl)ethyl]-3-phenylpyrrolidin-3-yl] propanoate
Also Known As: 2-Methyl-1-(p-nitrophenethyl)-3-phenyl-3-propionoxypyrrolidine, 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester), 2-Methyl-1-[2-(4-nitrophenyl)ethyl]-3-phenylpyrrolidin-3-yl propanoate, 2-Methyl-1-(p-nitrophenethyl)-3-phenylpyrrolidin-3-ol propionate, [2-methyl-1-[2-(4-nitrophenyl)ethyl]-3-phenylpyrrolidin-3-yl] propanoate
| Molecular Formula | C22H26N2O4 |
|---|---|
| Molecular Weight | 382.19 g/mol |
| LogP | 4.0802 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.18927 |
| Heavy Atoms | 28 |
| Complexity | 822.1902 |
Chemical Identifiers
| CAS Number | 69552-16-5 |
|---|---|
| SMILES | CCC(=O)OC1(CCN(C1C)CCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester) (CAS 69552-16-5), with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol. IUPAC: [2-methyl-1-[2-(4-nitrophenyl)ethyl]-3-phenylpyrrolidin-3-yl] propanoate.
Chemical Property Profile of 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester)
Property Insights of 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester)
The XLogP value of 4.0802 indicates that 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester). Following Lipinski's Rule of Five, 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester) 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 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester)?
The CAS number of 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester) is 69552-16-5.
What is the molecular formula of 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester)?
The molecular formula of 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester) is C22H26N2O4.
What is the molecular weight of 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester)?
The molecular weight of 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester) is 382.19 g/mol.
Where can I buy 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester)?
You can request a quote for 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyrrolidinol, 2-methyl-1-(p-nitrophenethyl)-3-phenyl-, propionate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.