2-Benzylpyrrolidine-1-carbaldehyde
TL;DR: 2-Benzylpyrrolidine-1-carbaldehyde (CAS 82589-48-8) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylpyrrolidine-1-carbaldehyde
Also Known As: 2-benzylpyrrolidine-1-carbaldehyde, J2.499.284E
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 82589-48-8 |
|---|---|
| SMILES | C1CC(N(C1)C=O)CC2=CC=CC=C2 |
| InChIKey | IGFHZBOTPYCJRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzylpyrrolidine-1-carbaldehyde (CAS 82589-48-8), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 2-benzylpyrrolidine-1-carbaldehyde.
Chemical Property Profile of 2-Benzylpyrrolidine-1-carbaldehyde
Property Insights of 2-Benzylpyrrolidine-1-carbaldehyde
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzylpyrrolidine-1-carbaldehyde. With a topological polar surface area (TPSA) of 20.3 Ų, 2-Benzylpyrrolidine-1-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylpyrrolidine-1-carbaldehyde has 0 hydrogen bond donor(s) and 1 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-Benzylpyrrolidine-1-carbaldehyde?
The CAS number of 2-Benzylpyrrolidine-1-carbaldehyde is 82589-48-8.
What is the molecular formula of 2-Benzylpyrrolidine-1-carbaldehyde?
The molecular formula of 2-Benzylpyrrolidine-1-carbaldehyde is C12H15NO.
What is the molecular weight of 2-Benzylpyrrolidine-1-carbaldehyde?
The molecular weight of 2-Benzylpyrrolidine-1-carbaldehyde is 189.12 g/mol.
Where can I buy 2-Benzylpyrrolidine-1-carbaldehyde?
You can request a quote for 2-Benzylpyrrolidine-1-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylpyrrolidine-1-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylpyrrolidine-1-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.