3-(Cyclopentyloxy)-4-methoxybenzonitrile
TL;DR: 3-(Cyclopentyloxy)-4-methoxybenzonitrile (CAS 159783-16-1) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclopentyloxy-4-methoxybenzonitrile
Also Known As: 3-(Cyclopentyloxy)-4-methoxybenzonitrile, 3-cyclopentyloxy-4-methoxybenzonitrile, BUTTPARK 91\04-11, Benzonitrile,3-(cyclopentyloxy)-4-methoxy-, 3-(cyclopentoxy)-4-methoxy-benzonitrile
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.88828 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 402.88388 |
Chemical Identifiers
| CAS Number | 159783-16-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C#N)OC2CCCC2 |
Product Overview
3-(Cyclopentyloxy)-4-methoxybenzonitrile (CAS 159783-16-1), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 3-cyclopentyloxy-4-methoxybenzonitrile.
Chemical Property Profile of 3-(Cyclopentyloxy)-4-methoxybenzonitrile
Property Insights of 3-(Cyclopentyloxy)-4-methoxybenzonitrile
The XLogP value of 2.88828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Cyclopentyloxy)-4-methoxybenzonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 3-(Cyclopentyloxy)-4-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Cyclopentyloxy)-4-methoxybenzonitrile 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-(Cyclopentyloxy)-4-methoxybenzonitrile?
The CAS number of 3-(Cyclopentyloxy)-4-methoxybenzonitrile is 159783-16-1.
What is the molecular formula of 3-(Cyclopentyloxy)-4-methoxybenzonitrile?
The molecular formula of 3-(Cyclopentyloxy)-4-methoxybenzonitrile is C13H15NO2.
What is the molecular weight of 3-(Cyclopentyloxy)-4-methoxybenzonitrile?
The molecular weight of 3-(Cyclopentyloxy)-4-methoxybenzonitrile is 217.11 g/mol.
Where can I buy 3-(Cyclopentyloxy)-4-methoxybenzonitrile?
You can request a quote for 3-(Cyclopentyloxy)-4-methoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Cyclopentyloxy)-4-methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Cyclopentyloxy)-4-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.