1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine)
TL;DR: 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine) (CAS 7498-36-4) is a chemical compound with molecular formula C16H28N2 and molecular weight 248.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2,5-dimethylpyrrolidin-1-yl)but-2-ynyl]-2,5-dimethylpyrrolidine
Also Known As: 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine), 1-[4-(2,5-dimethylpyrrolidin-1-yl)but-2-ynyl]-2,5-dimethylpy, 1-[4-(2,5-dimethylpyrrolidin-1-yl)but-2-ynyl]-2,5-dimethylpyrrolidine
| Molecular Formula | C16H28N2 |
|---|---|
| Molecular Weight | 248.23 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.22525 |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 7498-36-4 |
|---|---|
| SMILES | CC1CCC(N1CC#CCN2C(CCC2C)C)C |
| InChIKey | ZOBJQBSGGXBNDB-UHFFFAOYSA-N |
Product Overview
1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine) (CAS 7498-36-4), with molecular formula C16H28N2 and molecular weight 248.23 g/mol. IUPAC: 1-[4-(2,5-dimethylpyrrolidin-1-yl)but-2-ynyl]-2,5-dimethylpyrrolidine.
Chemical Property Profile of 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine)
Property Insights of 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine)
The XLogP value of 3.1 indicates that 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine) has 0 hydrogen bond donor(s) and 2 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 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine)?
The CAS number of 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine) is 7498-36-4.
What is the molecular formula of 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine)?
The molecular formula of 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine) is C16H28N2.
What is the molecular weight of 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine)?
The molecular weight of 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine) is 248.23 g/mol.
Where can I buy 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine)?
You can request a quote for 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.