Ethyl 3-cyanopropanoate
TL;DR: Ethyl 3-cyanopropanoate (CAS 10137-67-4) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyanopropanoate
Also Known As: Ethyl 3-cyanopropanoate, Propanoic acid, 3-cyano-, ethyl ester, ethyl 3-cyanopropionate, Ethyl3-cyanopropanoate, 3-Cyanopropionic acid, ethyl ester
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 10137-67-4 |
|---|---|
| SMILES | CCOC(=O)CCC#N |
| InChIKey | BFSBTNGKMMFQNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-cyanopropanoate (CAS 10137-67-4), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: ethyl 3-cyanopropanoate.
Chemical Property Profile of Ethyl 3-cyanopropanoate
Property Insights of Ethyl 3-cyanopropanoate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyanopropanoate. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 3-cyanopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-cyanopropanoate 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 Ethyl 3-cyanopropanoate?
The CAS number of Ethyl 3-cyanopropanoate is 10137-67-4.
What is the molecular formula of Ethyl 3-cyanopropanoate?
The molecular formula of Ethyl 3-cyanopropanoate is C6H9NO2.
What is the molecular weight of Ethyl 3-cyanopropanoate?
The molecular weight of Ethyl 3-cyanopropanoate is 127.06 g/mol.
Where can I buy Ethyl 3-cyanopropanoate?
You can request a quote for Ethyl 3-cyanopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-cyanopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyanopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.