Diethyl imidocarbonate
TL;DR: Diethyl imidocarbonate (CAS 2812-77-3) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxymethanimine
Also Known As: diethoxymethanimine, Diethyl imidocarbonate, diethyl carbonimidate, diethylimidocarbonate, imidocarbonic acid diethyl ester
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 2812-77-3 |
|---|---|
| SMILES | CCOC(=N)OCC |
| InChIKey | IOPGBGMYUPEGOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl imidocarbonate (CAS 2812-77-3), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: diethoxymethanimine.
Chemical Property Profile of Diethyl imidocarbonate
Property Insights of Diethyl imidocarbonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl imidocarbonate. With a topological polar surface area (TPSA) of 42.3 Ų, Diethyl imidocarbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl imidocarbonate 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 Diethyl imidocarbonate?
The CAS number of Diethyl imidocarbonate is 2812-77-3.
What is the molecular formula of Diethyl imidocarbonate?
The molecular formula of Diethyl imidocarbonate is C5H11NO2.
What is the molecular weight of Diethyl imidocarbonate?
The molecular weight of Diethyl imidocarbonate is 117.08 g/mol.
Where can I buy Diethyl imidocarbonate?
You can request a quote for Diethyl imidocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl imidocarbonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl imidocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.