4-Ethyl-4-formyloctanenitrile
TL;DR: 4-Ethyl-4-formyloctanenitrile (CAS 58870-48-7) is a chemical compound with molecular formula C11H19NO and molecular weight 181.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-4-formyloctanenitrile
Also Known As: 4-ethyl-4-formyloctanenitrile, 4-Aethyl-4-formyl-octannitril, 2-butyl-2-ethyl-4-cyanobutanal, 2-ethyl-2-butyl-4-cyanobutanal, 4-cyano-2-n-butyl-2-ethylbutanal
| Molecular Formula | C11H19NO |
|---|---|
| Molecular Weight | 181.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 181.14667 |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 58870-48-7 |
|---|---|
| SMILES | CCCCC(CC)(CCC#N)C=O |
| InChIKey | KBJKNUWIYZFLGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethyl-4-formyloctanenitrile (CAS 58870-48-7), with molecular formula C11H19NO and molecular weight 181.15 g/mol. IUPAC: 4-ethyl-4-formyloctanenitrile.
Chemical Property Profile of 4-Ethyl-4-formyloctanenitrile
Property Insights of 4-Ethyl-4-formyloctanenitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-4-formyloctanenitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 4-Ethyl-4-formyloctanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-4-formyloctanenitrile 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 4-Ethyl-4-formyloctanenitrile?
The CAS number of 4-Ethyl-4-formyloctanenitrile is 58870-48-7.
What is the molecular formula of 4-Ethyl-4-formyloctanenitrile?
The molecular formula of 4-Ethyl-4-formyloctanenitrile is C11H19NO.
What is the molecular weight of 4-Ethyl-4-formyloctanenitrile?
The molecular weight of 4-Ethyl-4-formyloctanenitrile is 181.15 g/mol.
Where can I buy 4-Ethyl-4-formyloctanenitrile?
You can request a quote for 4-Ethyl-4-formyloctanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-4-formyloctanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-4-formyloctanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.