Ethyl hydrogen iminodicarbonate
TL;DR: Ethyl hydrogen iminodicarbonate (CAS 502145-19-9) is a chemical compound with molecular formula C4H7NO4 and molecular weight 133.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxycarbonylcarbamic acid
Also Known As: ethoxycarbonylcarbamic acid, ethyl hydrogen iminodicarbonate, Resmetirom (Mgl-3196) Impurity 60
| Molecular Formula | C4H7NO4 |
|---|---|
| Molecular Weight | 133.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 133.0375 |
| Heavy Atoms | 9 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 502145-19-9 |
|---|---|
| SMILES | CCOC(=O)NC(=O)O |
| InChIKey | TVKRSHXXACIRAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl hydrogen iminodicarbonate (CAS 502145-19-9), with molecular formula C4H7NO4 and molecular weight 133.04 g/mol. IUPAC: ethoxycarbonylcarbamic acid.
Chemical Property Profile of Ethyl hydrogen iminodicarbonate
Property Insights of Ethyl hydrogen iminodicarbonate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl hydrogen iminodicarbonate. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl hydrogen iminodicarbonate. Following Lipinski's Rule of Five, Ethyl hydrogen iminodicarbonate has 2 hydrogen bond donor(s) and 4 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 hydrogen iminodicarbonate?
The CAS number of Ethyl hydrogen iminodicarbonate is 502145-19-9.
What is the molecular formula of Ethyl hydrogen iminodicarbonate?
The molecular formula of Ethyl hydrogen iminodicarbonate is C4H7NO4.
What is the molecular weight of Ethyl hydrogen iminodicarbonate?
The molecular weight of Ethyl hydrogen iminodicarbonate is 133.04 g/mol.
Where can I buy Ethyl hydrogen iminodicarbonate?
You can request a quote for Ethyl hydrogen iminodicarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl hydrogen iminodicarbonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl hydrogen iminodicarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.