2,5-Dimethyl-3-pyrroline
TL;DR: 2,5-Dimethyl-3-pyrroline (CAS 59480-92-1) is a chemical compound with molecular formula C6H11N and molecular weight 97.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-2,5-dihydro-1H-pyrrole
Also Known As: 2,5-Dimethyl-3-pyrroline, 2,5-dimethyl-2,5-dihydro-1h-pyrrole, 2,5-dimethyl-2,5-dihydropyrrole, 2,5-dihydro-2,5-dimethyl-1h-pyrrole, 2,5-Dimethyl-3-pyrroline, mixture of cis and trans
| Molecular Formula | C6H11N |
|---|---|
| Molecular Weight | 97.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 97.08915 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 59480-92-1 |
|---|---|
| SMILES | CC1C=CC(N1)C |
| InChIKey | TXQDHQBSNAJSHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethyl-3-pyrroline (CAS 59480-92-1), with molecular formula C6H11N and molecular weight 97.09 g/mol. IUPAC: 2,5-dimethyl-2,5-dihydro-1H-pyrrole.
Chemical Property Profile of 2,5-Dimethyl-3-pyrroline
Property Insights of 2,5-Dimethyl-3-pyrroline
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-3-pyrroline. With a topological polar surface area (TPSA) of 12.0 Ų, 2,5-Dimethyl-3-pyrroline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-3-pyrroline 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 2,5-Dimethyl-3-pyrroline?
The CAS number of 2,5-Dimethyl-3-pyrroline is 59480-92-1.
What is the molecular formula of 2,5-Dimethyl-3-pyrroline?
The molecular formula of 2,5-Dimethyl-3-pyrroline is C6H11N.
What is the molecular weight of 2,5-Dimethyl-3-pyrroline?
The molecular weight of 2,5-Dimethyl-3-pyrroline is 97.09 g/mol.
Where can I buy 2,5-Dimethyl-3-pyrroline?
You can request a quote for 2,5-Dimethyl-3-pyrroline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-3-pyrroline?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-3-pyrroline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.