4,4,4-Trimethoxybutanenitrile
TL;DR: 4,4,4-Trimethoxybutanenitrile (CAS 133871-50-8) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,4-trimethoxybutanenitrile
Also Known As: 4,4,4-Trimethoxybutanenitrile, 4,4-Trimethoxysuccinonitrile, Butanenitrile, 4,4,4-trimethoxy-, 4,4,4-Trimethoxybutanenitrile #, 993-118-5
Technical Specifications
| Molecular Formula | C7H13NO3 |
| Molecular Weight | 159.08954 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 159.08954 Da |
| Heavy Atoms | 11 |
| Complexity | 137.0 |
| SMILES | COC(CCC#N)(OC)OC |
| InChIKey | GSUSVAUWAKSSGP-UHFFFAOYSA-N |
Chemical Property Profile of 4,4,4-Trimethoxybutanenitrile
Property Insights of 4,4,4-Trimethoxybutanenitrile
The XLogP value of -0.1 indicates that 4,4,4-Trimethoxybutanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.5 Ų, 4,4,4-Trimethoxybutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trimethoxybutanenitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,4,4-Trimethoxybutanenitrile?
The CAS number of 4,4,4-Trimethoxybutanenitrile is 133871-50-8.
What is the molecular formula of 4,4,4-Trimethoxybutanenitrile?
The molecular formula of 4,4,4-Trimethoxybutanenitrile is C7H13NO3.
What is the molecular weight of 4,4,4-Trimethoxybutanenitrile?
The molecular weight of 4,4,4-Trimethoxybutanenitrile is 159.08954 g/mol.
Where can I buy 4,4,4-Trimethoxybutanenitrile?
You can request a quote for 4,4,4-Trimethoxybutanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4,4-Trimethoxybutanenitrile?
Yes, CoreyChem provides custom synthesis services for 4,4,4-Trimethoxybutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.