2-(乙酰氧基)-3-丁烯腈
TL;DR: 2-(乙酰氧基)-3-丁烯腈 (CAS 15667-63-7) is a chemical compound with molecular formula C6H7NO2 and molecular weight 125.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(乙酰氧基)-3-丁烯腈
1-cyanoprop-2-enyl acetate
Also Known As: 1-Cyanoallyl acetate, 1-Cyano-2-propenyl acetate, 1-cyanoprop-2-enyl acetate, 3-Butenenitrile, 2-(acetyloxy)-, 2-Acetoxy-3-butenenitrile
| Molecular Formula | C6H7NO2 |
|---|---|
| Molecular Weight | 125.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 125.047676 |
| Heavy Atoms | 9 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 15667-63-7 |
|---|---|
| SMILES | CC(=O)OC(C=C)C#N |
| InChIKey | MEHLEOUIWVWVBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(乙酰氧基)-3-丁烯腈 (CAS 15667-63-7), with molecular formula C6H7NO2 and molecular weight 125.05 g/mol. IUPAC: 1-cyanoprop-2-enyl acetate.
Chemical Property Profile of 2-(乙酰氧基)-3-丁烯腈
Property Insights of 2-(乙酰氧基)-3-丁烯腈
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(乙酰氧基)-3-丁烯腈. With a topological polar surface area (TPSA) of 50.1 Ų, 2-(乙酰氧基)-3-丁烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(乙酰氧基)-3-丁烯腈 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 2-(乙酰氧基)-3-丁烯腈?
The CAS number of 2-(乙酰氧基)-3-丁烯腈 is 15667-63-7.
What is the molecular formula of 2-(乙酰氧基)-3-丁烯腈?
The molecular formula of 2-(乙酰氧基)-3-丁烯腈 is C6H7NO2.
What is the molecular weight of 2-(乙酰氧基)-3-丁烯腈?
The molecular weight of 2-(乙酰氧基)-3-丁烯腈 is 125.05 g/mol.
Where can I buy 2-(乙酰氧基)-3-丁烯腈?
You can request a quote for 2-(乙酰氧基)-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-(乙酰氧基)-3-丁烯腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(乙酰氧基)-3-丁烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.