Ethyl nitroso(propan-2-yl)carbamate
TL;DR: Ethyl nitroso(propan-2-yl)carbamate (CAS 69971-90-0) is a chemical compound with molecular formula C6H12N2O3 and molecular weight 160.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-nitroso-N-propan-2-ylcarbamate
Also Known As: ethyl nitroso(propan-2-yl)carbamate, Ethyl isopropyl(nitroso)carbamate, ethyl N-nitroso-N-propan-2-ylcarbamate, N'-oxo-N-(propan-2-yl)ethoxycarbohydrazide, J1.834.215D
| Molecular Formula | C6H12N2O3 |
|---|---|
| Molecular Weight | 160.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.0848 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 69971-90-0 |
|---|---|
| SMILES | CCOC(=O)N(C(C)C)N=O |
| InChIKey | OCJIQWVXHHWHRO-UHFFFAOYSA-N |
Product Overview
Ethyl nitroso(propan-2-yl)carbamate (CAS 69971-90-0), with molecular formula C6H12N2O3 and molecular weight 160.08 g/mol. IUPAC: ethyl N-nitroso-N-propan-2-ylcarbamate.
Chemical Property Profile of Ethyl nitroso(propan-2-yl)carbamate
Property Insights of Ethyl nitroso(propan-2-yl)carbamate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl nitroso(propan-2-yl)carbamate. With a topological polar surface area (TPSA) of 59.0 Ų, Ethyl nitroso(propan-2-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl nitroso(propan-2-yl)carbamate 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 Ethyl nitroso(propan-2-yl)carbamate?
The CAS number of Ethyl nitroso(propan-2-yl)carbamate is 69971-90-0.
What is the molecular formula of Ethyl nitroso(propan-2-yl)carbamate?
The molecular formula of Ethyl nitroso(propan-2-yl)carbamate is C6H12N2O3.
What is the molecular weight of Ethyl nitroso(propan-2-yl)carbamate?
The molecular weight of Ethyl nitroso(propan-2-yl)carbamate is 160.08 g/mol.
Where can I buy Ethyl nitroso(propan-2-yl)carbamate?
You can request a quote for Ethyl nitroso(propan-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl nitroso(propan-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl nitroso(propan-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.