Ethyl isocyanopropionate
TL;DR: Ethyl isocyanopropionate (CAS 2920-08-3) 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-isocyanopropanoate
Also Known As: Ethyl isocyanopropionate, Ethyl 3-isocyanopropanoate, Propanoic acid, 3-isocyano-, ethyl ester, Ethyl-3-isocyanopropionate, Ethyl isocyanopropionate 97
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 0.85889 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 125.50977 |
Chemical Identifiers
| CAS Number | 2920-08-3 |
|---|---|
| SMILES | CCOC(=O)CC[N+]#[C-] |
Product Overview
Ethyl isocyanopropionate (CAS 2920-08-3), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: ethyl 3-isocyanopropanoate.
Chemical Property Profile of Ethyl isocyanopropionate
Property Insights of Ethyl isocyanopropionate
The XLogP value of 0.85889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl isocyanopropionate. With a topological polar surface area (TPSA) of 30.66 Ų, Ethyl isocyanopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl isocyanopropionate 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 Ethyl isocyanopropionate?
The CAS number of Ethyl isocyanopropionate is 2920-08-3.
What is the molecular formula of Ethyl isocyanopropionate?
The molecular formula of Ethyl isocyanopropionate is C6H9NO2.
What is the molecular weight of Ethyl isocyanopropionate?
The molecular weight of Ethyl isocyanopropionate is 127.06 g/mol.
Where can I buy Ethyl isocyanopropionate?
You can request a quote for Ethyl isocyanopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl isocyanopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl isocyanopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.