Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI)
TL;DR: Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI) (CAS 5211-73-4) is a chemical compound with molecular formula C6H10N2O3 and molecular weight 158.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-nitroso-N-prop-2-enylcarbamate
Also Known As: N-allyl-N-nitrosourethan, Ethyl allyl(nitroso)carbamate, N-allyl-N-nitroso-O-ethylcarbamate, ethyl N-nitroso-N-prop-2-enylcarbamate, Ethyl nitroso(prop-2-en-1-yl)carbamate
| Molecular Formula | C6H10N2O3 |
|---|---|
| Molecular Weight | 158.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.06914 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 5211-73-4 |
|---|---|
| SMILES | CCOC(=O)N(CC=C)N=O |
| InChIKey | RLIGRPOIUHSNIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI) (CAS 5211-73-4), with molecular formula C6H10N2O3 and molecular weight 158.07 g/mol. IUPAC: ethyl N-nitroso-N-prop-2-enylcarbamate.
Chemical Property Profile of Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI)
Property Insights of Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI)
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI). With a topological polar surface area (TPSA) of 59.0 Ų, Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI) has 0 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 Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI)?
The CAS number of Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI) is 5211-73-4.
What is the molecular formula of Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI)?
The molecular formula of Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI) is C6H10N2O3.
What is the molecular weight of Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI)?
The molecular weight of Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI) is 158.07 g/mol.
Where can I buy Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI)?
You can request a quote for Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, nitroso-2-propenyl-, ethyl ester (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.