2-乙基-2-羟基丁腈
TL;DR: 2-乙基-2-羟基丁腈 (CAS 34451-66-6) is a chemical compound with molecular formula C6H11NO and molecular weight 113.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基-2-羟基丁腈
2-ethyl-2-hydroxybutanenitrile
Also Known As: 2-ethyl-2-hydroxybutanenitrile, 2-Ethyl-2-hydroxybutyronitrile, 3-Pentanone cyanohydrin, USAF A-17195, Butanenitrile, 2-ethyl-2-hydroxy-
| Molecular Formula | C6H11NO |
|---|---|
| Molecular Weight | 113.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 113.08406 |
| Heavy Atoms | 8 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 34451-66-6 |
|---|---|
| SMILES | CCC(CC)(C#N)O |
| InChIKey | QWJRZIUNOYNJIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基-2-羟基丁腈 (CAS 34451-66-6), with molecular formula C6H11NO and molecular weight 113.08 g/mol. IUPAC: 2-ethyl-2-hydroxybutanenitrile.
Chemical Property Profile of 2-乙基-2-羟基丁腈
Property Insights of 2-乙基-2-羟基丁腈
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙基-2-羟基丁腈. With a topological polar surface area (TPSA) of 44.0 Ų, 2-乙基-2-羟基丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基-2-羟基丁腈 has 1 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 2-乙基-2-羟基丁腈?
The CAS number of 2-乙基-2-羟基丁腈 is 34451-66-6.
What is the molecular formula of 2-乙基-2-羟基丁腈?
The molecular formula of 2-乙基-2-羟基丁腈 is C6H11NO.
What is the molecular weight of 2-乙基-2-羟基丁腈?
The molecular weight of 2-乙基-2-羟基丁腈 is 113.08 g/mol.
Where can I buy 2-乙基-2-羟基丁腈?
You can request a quote for 2-乙基-2-羟基丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基-2-羟基丁腈?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基-2-羟基丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.