ethyl N-carbonylcarbamate
TL;DR: ethyl N-carbonylcarbamate (CAS 37693-89-3) is a chemical compound with molecular formula C4H5NO3 and molecular weight 115.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(oxomethylidene)carbamate
Also Known As: Ethoxycarbonyl isocyanate, ethyl N-carbonylcarbamate, Ethyl isocyanatoformate, Ethoxycarbonylisocyanate, ethyl isocyanatooate
| Molecular Formula | C4H5NO3 |
|---|---|
| Molecular Weight | 115.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.02694 |
| Heavy Atoms | 8 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 37693-89-3 |
|---|---|
| SMILES | CCOC(=O)N=C=O |
| InChIKey | VMVZGGPZNHFGKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl N-carbonylcarbamate (CAS 37693-89-3), with molecular formula C4H5NO3 and molecular weight 115.03 g/mol. IUPAC: ethyl N-(oxomethylidene)carbamate.
Chemical Property Profile of ethyl N-carbonylcarbamate
Property Insights of ethyl N-carbonylcarbamate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-carbonylcarbamate. With a topological polar surface area (TPSA) of 55.7 Ų, ethyl N-carbonylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-carbonylcarbamate 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 N-carbonylcarbamate?
The CAS number of ethyl N-carbonylcarbamate is 37693-89-3.
What is the molecular formula of ethyl N-carbonylcarbamate?
The molecular formula of ethyl N-carbonylcarbamate is C4H5NO3.
What is the molecular weight of ethyl N-carbonylcarbamate?
The molecular weight of ethyl N-carbonylcarbamate is 115.03 g/mol.
Where can I buy ethyl N-carbonylcarbamate?
You can request a quote for ethyl N-carbonylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-carbonylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-carbonylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.