Ethyl 3-(chloroformyl)carbazate
TL;DR: Ethyl 3-(chloroformyl)carbazate (CAS 15429-42-2) is a chemical compound with molecular formula C4H7ClN2O3 and molecular weight 166.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(carbonochloridoylamino)carbamate
Also Known As: Ethyl 3-(chloroformyl)carbazate, ethyl N-(carbonochloridoylamino)carbamate, ethyl 2-(chlorocarbonyl)hydrazinecarboxylate, 2-Carbethoxyhydrazinecarbonyl chloride, 2-ethoxycarbonylhydrazinecarbonyl chloride
| Molecular Formula | C4H7ClN2O3 |
|---|---|
| Molecular Weight | 166.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.01453 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 15429-42-2 |
|---|---|
| SMILES | CCOC(=O)NNC(=O)Cl |
| InChIKey | OUYPEOIQRFGKLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(chloroformyl)carbazate (CAS 15429-42-2), with molecular formula C4H7ClN2O3 and molecular weight 166.01 g/mol. IUPAC: ethyl N-(carbonochloridoylamino)carbamate.
Chemical Property Profile of Ethyl 3-(chloroformyl)carbazate
Property Insights of Ethyl 3-(chloroformyl)carbazate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(chloroformyl)carbazate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(chloroformyl)carbazate. Following Lipinski's Rule of Five, Ethyl 3-(chloroformyl)carbazate has 2 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 3-(chloroformyl)carbazate?
The CAS number of Ethyl 3-(chloroformyl)carbazate is 15429-42-2.
What is the molecular formula of Ethyl 3-(chloroformyl)carbazate?
The molecular formula of Ethyl 3-(chloroformyl)carbazate is C4H7ClN2O3.
What is the molecular weight of Ethyl 3-(chloroformyl)carbazate?
The molecular weight of Ethyl 3-(chloroformyl)carbazate is 166.01 g/mol.
Where can I buy Ethyl 3-(chloroformyl)carbazate?
You can request a quote for Ethyl 3-(chloroformyl)carbazate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(chloroformyl)carbazate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(chloroformyl)carbazate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.