5-benzyl-3,4-dihydro-2H-pyrrole
TL;DR: 5-benzyl-3,4-dihydro-2H-pyrrole (CAS 80789-74-8) is a chemical compound with molecular formula C11H13N and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3,4-dihydro-2H-pyrrole
Also Known As: 5-benzyl-3,4-dihydro-2H-pyrrole, 2-Benzyl-1-pyrroline, 2-benzyl-4,5-dihydro-3H-pyrrole, 2H-Pyrrole,3,4-dihydro-5-(phenylmethyl)-, RefChem:301312
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 80789-74-8 |
|---|---|
| SMILES | C1CC(=NC1)CC2=CC=CC=C2 |
| InChIKey | RSOADCLKZJGKCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-benzyl-3,4-dihydro-2H-pyrrole (CAS 80789-74-8), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: 5-benzyl-3,4-dihydro-2H-pyrrole.
Chemical Property Profile of 5-benzyl-3,4-dihydro-2H-pyrrole
Property Insights of 5-benzyl-3,4-dihydro-2H-pyrrole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-benzyl-3,4-dihydro-2H-pyrrole. With a topological polar surface area (TPSA) of 12.4 Ų, 5-benzyl-3,4-dihydro-2H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-benzyl-3,4-dihydro-2H-pyrrole 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 5-benzyl-3,4-dihydro-2H-pyrrole?
The CAS number of 5-benzyl-3,4-dihydro-2H-pyrrole is 80789-74-8.
What is the molecular formula of 5-benzyl-3,4-dihydro-2H-pyrrole?
The molecular formula of 5-benzyl-3,4-dihydro-2H-pyrrole is C11H13N.
What is the molecular weight of 5-benzyl-3,4-dihydro-2H-pyrrole?
The molecular weight of 5-benzyl-3,4-dihydro-2H-pyrrole is 159.10 g/mol.
Where can I buy 5-benzyl-3,4-dihydro-2H-pyrrole?
You can request a quote for 5-benzyl-3,4-dihydro-2H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-benzyl-3,4-dihydro-2H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 5-benzyl-3,4-dihydro-2H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.