3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile
TL;DR: 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile (CAS 375354-80-6) is a chemical compound with molecular formula C14H22N2O and molecular weight 234.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile
Also Known As: A2560/0109039, 3-(3-methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile, 3-{[3-methyl-6-(pyrrolidin-1-yl)hex-4-yn-3-yl]oxy}propanenitrile, 3-(1-ethyl-1-methyl-4-pyrrolidinylbut-2-ynyloxy)propanenitrile, 3-((3-methyl-6-(pyrrolidin-1-yl)hex-4-yn-3-yl)oxy)propanenitrile
| Molecular Formula | C14H22N2O |
|---|---|
| Molecular Weight | 234.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.17322 |
| Heavy Atoms | 17 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 375354-80-6 |
|---|---|
| SMILES | CCC(C)(C#CCN1CCCC1)OCCC#N |
| InChIKey | WELKEPIWDTYCGL-UHFFFAOYSA-N |
Product Overview
3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile (CAS 375354-80-6), with molecular formula C14H22N2O and molecular weight 234.17 g/mol. IUPAC: 3-(3-methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile.
Chemical Property Profile of 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile
Property Insights of 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile. With a topological polar surface area (TPSA) of 36.3 Ų, 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile has 0 hydrogen bond donor(s) and 3 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-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile?
The CAS number of 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile is 375354-80-6.
What is the molecular formula of 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile?
The molecular formula of 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile is C14H22N2O.
What is the molecular weight of 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile?
The molecular weight of 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile is 234.17 g/mol.
Where can I buy 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile?
You can request a quote for 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methyl-6-pyrrolidin-1-ylhex-4-yn-3-yl)oxypropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.