4,4-二乙氧基丁腈
TL;DR: 4,4-二乙氧基丁腈 (CAS 18381-45-8) is a chemical compound with molecular formula C8H15NO2 and molecular weight 157.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-二乙氧基丁腈
4,4-diethoxybutanenitrile
Also Known As: 4,4-Diethoxybutanenitrile, 3-Cyanopropionaldehyde diethyl acetal, 3-cyano propionaldehyde diethyl acetal, Butanenitrile, 4,4-diethoxy-, 4,4-diethoxybutyronitrile
| Molecular Formula | C8H15NO2 |
|---|---|
| Molecular Weight | 157.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 157.11028 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 18381-45-8 |
|---|---|
| SMILES | CCOC(CCC#N)OCC |
| InChIKey | DRZCPHGVEATLFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-二乙氧基丁腈 (CAS 18381-45-8), with molecular formula C8H15NO2 and molecular weight 157.11 g/mol. IUPAC: 4,4-diethoxybutanenitrile.
Chemical Property Profile of 4,4-二乙氧基丁腈
Property Insights of 4,4-二乙氧基丁腈
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-二乙氧基丁腈. With a topological polar surface area (TPSA) of 42.3 Ų, 4,4-二乙氧基丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-二乙氧基丁腈 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 4,4-二乙氧基丁腈?
The CAS number of 4,4-二乙氧基丁腈 is 18381-45-8.
What is the molecular formula of 4,4-二乙氧基丁腈?
The molecular formula of 4,4-二乙氧基丁腈 is C8H15NO2.
What is the molecular weight of 4,4-二乙氧基丁腈?
The molecular weight of 4,4-二乙氧基丁腈 is 157.11 g/mol.
Where can I buy 4,4-二乙氧基丁腈?
You can request a quote for 4,4-二乙氧基丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-二乙氧基丁腈?
Yes, KEHONG BIO provides custom synthesis services for 4,4-二乙氧基丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.