3-乙氧基丙腈
TL;DR: 3-乙氧基丙腈 (CAS 2141-62-0) is a chemical compound with molecular formula C5H9NO and molecular weight 99.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙氧基丙腈
3-ethoxypropanenitrile
Also Known As: 3-Ethoxypropanenitrile, 3-ETHOXYPROPIONITRILE, Propanenitrile, 3-ethoxy-, beta-Ethoxypropionitrile, Propionitrile, 3-ethoxy-
| Molecular Formula | C5H9NO |
|---|---|
| Molecular Weight | 99.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 99.06841 |
| Heavy Atoms | 7 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 2141-62-0 |
|---|---|
| SMILES | CCOCCC#N |
| InChIKey | DCWQZPJHHVLHSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙氧基丙腈 (CAS 2141-62-0), with molecular formula C5H9NO and molecular weight 99.07 g/mol. IUPAC: 3-ethoxypropanenitrile.
Chemical Property Profile of 3-乙氧基丙腈
Property Insights of 3-乙氧基丙腈
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙氧基丙腈. With a topological polar surface area (TPSA) of 33.0 Ų, 3-乙氧基丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙氧基丙腈 has 0 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 3-乙氧基丙腈?
The CAS number of 3-乙氧基丙腈 is 2141-62-0.
What is the molecular formula of 3-乙氧基丙腈?
The molecular formula of 3-乙氧基丙腈 is C5H9NO.
What is the molecular weight of 3-乙氧基丙腈?
The molecular weight of 3-乙氧基丙腈 is 99.07 g/mol.
Where can I buy 3-乙氧基丙腈?
You can request a quote for 3-乙氧基丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙氧基丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-乙氧基丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.