Ethoxycarbonylcyanamide
TL;DR: Ethoxycarbonylcyanamide (CAS 3084-00-2) is a chemical compound with molecular formula C4H6N2O2 and molecular weight 114.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-cyanocarbamate
Also Known As: cyanourethane, ethyl cyanocarbamate, N-carbethoxy cyanamide, Ethyl N-cyanocarbamate, ethoxycarbonylcyanamide
| Molecular Formula | C4H6N2O2 |
|---|---|
| Molecular Weight | 114.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.04293 |
| Heavy Atoms | 8 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 3084-00-2 |
|---|---|
| SMILES | CCOC(=O)NC#N |
| InChIKey | IAJAJHWJABDUBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethoxycarbonylcyanamide (CAS 3084-00-2), with molecular formula C4H6N2O2 and molecular weight 114.04 g/mol. IUPAC: ethyl N-cyanocarbamate.
Chemical Property Profile of Ethoxycarbonylcyanamide
Property Insights of Ethoxycarbonylcyanamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethoxycarbonylcyanamide. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethoxycarbonylcyanamide. Following Lipinski's Rule of Five, Ethoxycarbonylcyanamide has 1 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 Ethoxycarbonylcyanamide?
The CAS number of Ethoxycarbonylcyanamide is 3084-00-2.
What is the molecular formula of Ethoxycarbonylcyanamide?
The molecular formula of Ethoxycarbonylcyanamide is C4H6N2O2.
What is the molecular weight of Ethoxycarbonylcyanamide?
The molecular weight of Ethoxycarbonylcyanamide is 114.04 g/mol.
Where can I buy Ethoxycarbonylcyanamide?
You can request a quote for Ethoxycarbonylcyanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethoxycarbonylcyanamide?
Yes, KEHONG BIO provides custom synthesis services for Ethoxycarbonylcyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.