2-羟基-3-丁烯腈
TL;DR: 2-羟基-3-丁烯腈 (CAS 5809-59-6) is a chemical compound with molecular formula C4H5NO and molecular weight 83.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羟基-3-丁烯腈
2-hydroxybut-3-enenitrile
Also Known As: 2-hydroxybut-3-enenitrile, 2-Hydroxy-3-butenenitrile, Vinylglycolonitrile, Akroleinkyanhydrin, Acrolein, cyanohydrin
| Molecular Formula | C4H5NO |
|---|---|
| Molecular Weight | 83.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 83.03712 |
| Heavy Atoms | 6 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 5809-59-6 |
|---|---|
| SMILES | C=CC(C#N)O |
| InChIKey | WKFMHXZXCCJSJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-羟基-3-丁烯腈 (CAS 5809-59-6), with molecular formula C4H5NO and molecular weight 83.04 g/mol. IUPAC: 2-hydroxybut-3-enenitrile.
Chemical Property Profile of 2-羟基-3-丁烯腈
Property Insights of 2-羟基-3-丁烯腈
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-羟基-3-丁烯腈. With a topological polar surface area (TPSA) of 44.0 Ų, 2-羟基-3-丁烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-羟基-3-丁烯腈 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-羟基-3-丁烯腈?
The CAS number of 2-羟基-3-丁烯腈 is 5809-59-6.
What is the molecular formula of 2-羟基-3-丁烯腈?
The molecular formula of 2-羟基-3-丁烯腈 is C4H5NO.
What is the molecular weight of 2-羟基-3-丁烯腈?
The molecular weight of 2-羟基-3-丁烯腈 is 83.04 g/mol.
Where can I buy 2-羟基-3-丁烯腈?
You can request a quote for 2-羟基-3-丁烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羟基-3-丁烯腈?
Yes, KEHONG BIO provides custom synthesis services for 2-羟基-3-丁烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.