3-(2-Ethylbutoxy)propanenitrile
TL;DR: 3-(2-Ethylbutoxy)propanenitrile (CAS 10232-91-4) is a chemical compound with molecular formula C9H17NO and molecular weight 155.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethylbutoxy)propanenitrile
Also Known As: 3-(2-ethylbutoxy)propanenitrile, 3-(2-Ethylbutoxy)propiononitrile, Propionitrile, 3-(2-ethylbutoxy)-, 3-(2-Ethylbutoxy)propionitrile, 3-(2-Ethylbutoxy)propannitril
| Molecular Formula | C9H17NO |
|---|---|
| Molecular Weight | 155.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 155.13101 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 10232-91-4 |
|---|---|
| SMILES | CCC(CC)COCCC#N |
| InChIKey | HHTFLOIAOFXJDD-UHFFFAOYSA-N |
Product Overview
3-(2-Ethylbutoxy)propanenitrile (CAS 10232-91-4), with molecular formula C9H17NO and molecular weight 155.13 g/mol. IUPAC: 3-(2-ethylbutoxy)propanenitrile.
Chemical Property Profile of 3-(2-Ethylbutoxy)propanenitrile
Property Insights of 3-(2-Ethylbutoxy)propanenitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Ethylbutoxy)propanenitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 3-(2-Ethylbutoxy)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Ethylbutoxy)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-(2-Ethylbutoxy)propanenitrile?
The CAS number of 3-(2-Ethylbutoxy)propanenitrile is 10232-91-4.
What is the molecular formula of 3-(2-Ethylbutoxy)propanenitrile?
The molecular formula of 3-(2-Ethylbutoxy)propanenitrile is C9H17NO.
What is the molecular weight of 3-(2-Ethylbutoxy)propanenitrile?
The molecular weight of 3-(2-Ethylbutoxy)propanenitrile is 155.13 g/mol.
Where can I buy 3-(2-Ethylbutoxy)propanenitrile?
You can request a quote for 3-(2-Ethylbutoxy)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Ethylbutoxy)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Ethylbutoxy)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.