1-Cyano-2,2-dimethylpropyl acetate
TL;DR: 1-Cyano-2,2-dimethylpropyl acetate (CAS 126567-38-2) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-cyano-2,2-dimethylpropyl) acetate
Also Known As: 1-cyano-2,2-dimethylpropyl acetate, (1-cyano-2,2-dimethylpropyl) acetate, 2-Acetoxy-3,3-dimethylbutanenitrile, (R)-2-Acetoxy-3,3-dimethylbutyronitrile, (1-cyano-2,2-dimethyl-propyl) Acetate
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 1.48778 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 185.24919 |
Chemical Identifiers
| CAS Number | 126567-38-2 |
|---|---|
| SMILES | CC(=O)OC(C#N)C(C)(C)C |
Product Overview
1-Cyano-2,2-dimethylpropyl acetate (CAS 126567-38-2), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: (1-cyano-2,2-dimethylpropyl) acetate.
Chemical Property Profile of 1-Cyano-2,2-dimethylpropyl acetate
Property Insights of 1-Cyano-2,2-dimethylpropyl acetate
The XLogP value of 1.48778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyano-2,2-dimethylpropyl acetate. With a topological polar surface area (TPSA) of 50.09 Ų, 1-Cyano-2,2-dimethylpropyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyano-2,2-dimethylpropyl acetate 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 1-Cyano-2,2-dimethylpropyl acetate?
The CAS number of 1-Cyano-2,2-dimethylpropyl acetate is 126567-38-2.
What is the molecular formula of 1-Cyano-2,2-dimethylpropyl acetate?
The molecular formula of 1-Cyano-2,2-dimethylpropyl acetate is C8H13NO2.
What is the molecular weight of 1-Cyano-2,2-dimethylpropyl acetate?
The molecular weight of 1-Cyano-2,2-dimethylpropyl acetate is 155.09 g/mol.
Where can I buy 1-Cyano-2,2-dimethylpropyl acetate?
You can request a quote for 1-Cyano-2,2-dimethylpropyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-2,2-dimethylpropyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-2,2-dimethylpropyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.