4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile
TL;DR: 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile (CAS 256952-48-4) is a chemical compound with molecular formula C14H18N2O and molecular weight 230.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-pyrrolidin-1-ylpropoxy)benzonitrile
Also Known As: 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile, 4-(3-pyrrolidin-1-ylpropoxy)benzonitrile
| Molecular Formula | C14H18N2O |
|---|---|
| Molecular Weight | 230.14 g/mol |
| LogP | 2.42298 |
| Topological Polar Surface Area | 36.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.1419 |
| Heavy Atoms | 17 |
| Complexity | 374.20383 |
Chemical Identifiers
| CAS Number | 256952-48-4 |
|---|---|
| SMILES | C1CCN(C1)CCCOC2=CC=C(C=C2)C#N |
Product Overview
4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile (CAS 256952-48-4), with molecular formula C14H18N2O and molecular weight 230.14 g/mol. IUPAC: 4-(3-pyrrolidin-1-ylpropoxy)benzonitrile.
Chemical Property Profile of 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile
Property Insights of 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile
The XLogP value of 2.42298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile. With a topological polar surface area (TPSA) of 36.26 Ų, 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile 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 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile?
The CAS number of 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile is 256952-48-4.
What is the molecular formula of 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile?
The molecular formula of 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile is C14H18N2O.
What is the molecular weight of 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile?
The molecular weight of 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile is 230.14 g/mol.
Where can I buy 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile?
You can request a quote for 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(Pyrrolidin-1-yl)propoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.