1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate
TL;DR: 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate (CAS 69552-07-4) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2-dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl] propanoate
Also Known As: 1,2-Dimethyl-3-(p-tolyl)-3-propionoxypyrrolidine, 1,2-Dimethyl-3- pyrrolidin-3-olpropionate, 5-21-02-00424 (Beilstein Handbook Reference), 1,2-DIMETHYL-3-(4-METHYLPHENYL)PYRROLIDIN-3-YL PROPANOATE, 3-Pyrrolidinol, 1,2-dimethyl-3-(p-tolyl)-, propionate (ester)
| Molecular Formula | C16H23NO2 |
|---|---|
| Molecular Weight | 261.17 g/mol |
| LogP | 2.86752 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.17288 |
| Heavy Atoms | 19 |
| Complexity | 454.32166 |
Chemical Identifiers
| CAS Number | 69552-07-4 |
|---|---|
| SMILES | CCC(=O)OC1(CCN(C1C)C)C2=CC=C(C=C2)C |
Product Overview
1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate (CAS 69552-07-4), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: [1,2-dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl] propanoate.
Chemical Property Profile of 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate
Property Insights of 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate
The XLogP value of 2.86752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate. With a topological polar surface area (TPSA) of 29.54 Ų, 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate has 0 hydrogen bond donor(s) and 3 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 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate?
The CAS number of 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate is 69552-07-4.
What is the molecular formula of 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate?
The molecular formula of 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate is C16H23NO2.
What is the molecular weight of 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate?
The molecular weight of 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate is 261.17 g/mol.
Where can I buy 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate?
You can request a quote for 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethyl-3-(4-methylphenyl)pyrrolidin-3-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.