3-吡咯啉
TL;DR: 3-吡咯啉 (CAS 109-96-6) is a chemical compound with molecular formula C4H7N and molecular weight 69.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-吡咯啉
2,5-dihydro-1H-pyrrole
Also Known As: 3-Pyrroline, 2,5-Dihydro-1H-pyrrole, 2,5-Dihydropyrrole, 1H-Pyrrole, 2,5-dihydro-, Pyrroline
| Molecular Formula | C4H7N |
|---|---|
| Molecular Weight | 69.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 69.057846 |
| Heavy Atoms | 5 |
| Complexity | 41.0 |
Chemical Identifiers
| CAS Number | 109-96-6 |
|---|---|
| SMILES | C1C=CCN1 |
| InChIKey | JVQIKJMSUIMUDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-吡咯啉 (CAS 109-96-6), with molecular formula C4H7N and molecular weight 69.06 g/mol. IUPAC: 2,5-dihydro-1H-pyrrole.
Chemical Property Profile of 3-吡咯啉
Property Insights of 3-吡咯啉
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-吡咯啉. With a topological polar surface area (TPSA) of 12.0 Ų, 3-吡咯啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-吡咯啉 has 1 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 3-吡咯啉?
The CAS number of 3-吡咯啉 is 109-96-6.
What is the molecular formula of 3-吡咯啉?
The molecular formula of 3-吡咯啉 is C4H7N.
What is the molecular weight of 3-吡咯啉?
The molecular weight of 3-吡咯啉 is 69.06 g/mol.
Where can I buy 3-吡咯啉?
You can request a quote for 3-吡咯啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-吡咯啉?
Yes, KEHONG BIO provides custom synthesis services for 3-吡咯啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.