Ethyl cyanoformate
TL;DR: Ethyl cyanoformate (CAS 623-49-4) is a chemical compound with molecular formula C4H5NO2 and molecular weight 99.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl cyanoformate
Also Known As: Ethyl cyanoformate, ETHYL CARBONOCYANIDATE, Ethylcyanoformate, Carbonocyanidic acid, ethyl ester, null
| Molecular Formula | C4H5NO2 |
|---|---|
| Molecular Weight | 99.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 99.03203 |
| Heavy Atoms | 7 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 623-49-4 |
|---|---|
| SMILES | CCOC(=O)C#N |
| InChIKey | MSMGXWFHBSCQFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl cyanoformate (CAS 623-49-4), with molecular formula C4H5NO2 and molecular weight 99.03 g/mol. IUPAC: ethyl cyanoformate.
Chemical Property Profile of Ethyl cyanoformate
Property Insights of Ethyl cyanoformate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl cyanoformate. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl cyanoformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl cyanoformate 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 cyanoformate?
The CAS number of Ethyl cyanoformate is 623-49-4.
What is the molecular formula of Ethyl cyanoformate?
The molecular formula of Ethyl cyanoformate is C4H5NO2.
What is the molecular weight of Ethyl cyanoformate?
The molecular weight of Ethyl cyanoformate is 99.03 g/mol.
Where can I buy Ethyl cyanoformate?
You can request a quote for Ethyl cyanoformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cyanoformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cyanoformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.