2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester
TL;DR: 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester (CAS 134591-58-5) is a chemical compound with molecular formula C17H24N2O2 and molecular weight 288.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylate
Also Known As: 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester, Benzyl 2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylate, (1S,2R)-N-(Acetyl)bornane-10,2-sultam, X-1668, 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylicacidbenzylester
| Molecular Formula | C17H24N2O2 |
|---|---|
| Molecular Weight | 288.18 g/mol |
| LogP | 2.8834 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.18378 |
| Heavy Atoms | 21 |
| Complexity | 457.11774 |
Chemical Identifiers
| CAS Number | 134591-58-5 |
|---|---|
| SMILES | C1CCN(C1)CC2CCCN2C(=O)OCC3=CC=CC=C3 |
Product Overview
2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester (CAS 134591-58-5), with molecular formula C17H24N2O2 and molecular weight 288.18 g/mol. IUPAC: benzyl 2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylate.
Chemical Property Profile of 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester
Property Insights of 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester
The XLogP value of 2.8834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester. With a topological polar surface area (TPSA) of 32.78 Ų, 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester 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 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester?
The CAS number of 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester is 134591-58-5.
What is the molecular formula of 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester?
The molecular formula of 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester is C17H24N2O2.
What is the molecular weight of 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester?
The molecular weight of 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester is 288.18 g/mol.
Where can I buy 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester?
You can request a quote for 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.