3-(4-Ethylphenoxy)propanenitrile
TL;DR: 3-(4-Ethylphenoxy)propanenitrile (CAS 379730-09-3) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethylphenoxy)propanenitrile
Also Known As: 3-(4-ethylphenoxy)propanenitrile, Propanenitrile, 3-(4-ethylphenoxy)-, Propanenitrile, 3-(4-ethylphenoxy)- (9CI)
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.54148 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 283.95374 |
Chemical Identifiers
| CAS Number | 379730-09-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCCC#N |
Product Overview
3-(4-Ethylphenoxy)propanenitrile (CAS 379730-09-3), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 3-(4-ethylphenoxy)propanenitrile.
Chemical Property Profile of 3-(4-Ethylphenoxy)propanenitrile
Property Insights of 3-(4-Ethylphenoxy)propanenitrile
The XLogP value of 2.54148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Ethylphenoxy)propanenitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 3-(4-Ethylphenoxy)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Ethylphenoxy)propanenitrile 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 3-(4-Ethylphenoxy)propanenitrile?
The CAS number of 3-(4-Ethylphenoxy)propanenitrile is 379730-09-3.
What is the molecular formula of 3-(4-Ethylphenoxy)propanenitrile?
The molecular formula of 3-(4-Ethylphenoxy)propanenitrile is C11H13NO.
What is the molecular weight of 3-(4-Ethylphenoxy)propanenitrile?
The molecular weight of 3-(4-Ethylphenoxy)propanenitrile is 175.10 g/mol.
Where can I buy 3-(4-Ethylphenoxy)propanenitrile?
You can request a quote for 3-(4-Ethylphenoxy)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Ethylphenoxy)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Ethylphenoxy)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.