3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate
TL;DR: 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate (CAS 69552-05-2) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl] propanoate
Also Known As: 1,2-Dimethyl-3- pyrrolidin-3-olpropionate, 1,2-Dimethyl-3-(m-methoxyphenyl)-3-propionoxypyrrolidine, 5-21-04-00515 (Beilstein Handbook Reference), 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate, 3-Pyrrolidinol, 1,2-dimethyl-3-(m-methoxyphenyl)-, propionate (ester)
| Molecular Formula | C16H23NO3 |
|---|---|
| Molecular Weight | 277.17 g/mol |
| LogP | 2.5677 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.1678 |
| Heavy Atoms | 20 |
| Complexity | 488.36526 |
Chemical Identifiers
| CAS Number | 69552-05-2 |
|---|---|
| SMILES | CCC(=O)OC1(CCN(C1C)C)C2=CC(=CC=C2)OC |
Product Overview
3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate (CAS 69552-05-2), with molecular formula C16H23NO3 and molecular weight 277.17 g/mol. IUPAC: [3-(3-methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl] propanoate.
Chemical Property Profile of 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate
Property Insights of 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate
The XLogP value of 2.5677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate. With a topological polar surface area (TPSA) of 38.77 Ų, 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate has 0 hydrogen bond donor(s) and 4 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-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate?
The CAS number of 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate is 69552-05-2.
What is the molecular formula of 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate?
The molecular formula of 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate is C16H23NO3.
What is the molecular weight of 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate?
The molecular weight of 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate is 277.17 g/mol.
Where can I buy 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate?
You can request a quote for 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-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 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.