Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester
TL;DR: Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester (CAS 70103-77-4) is a chemical compound with molecular formula C7H12N2O5 and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[acetyloxymethyl(nitroso)amino]ethyl acetate
Also Known As: Aeamn, ACETIC ACID, 2-((ACETOXYMETHYL)NITROSAMINO)ETHYL ESTER, N-(2-Acetoxyethyl)-N-(acetoxymethyl)nitrosamine, 2-[acetyloxymethyl(nitroso)amino]ethyl acetate, [2-Acetyloxyethyl(nitroso)amino]methyl acetate
| Molecular Formula | C7H12N2O5 |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 204.07462 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 70103-77-4 |
|---|---|
| SMILES | CC(=O)OCCN(COC(=O)C)N=O |
| InChIKey | AVDDGBLWDYXMFE-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester (CAS 70103-77-4), with molecular formula C7H12N2O5 and molecular weight 204.07 g/mol. IUPAC: 2-[acetyloxymethyl(nitroso)amino]ethyl acetate.
Chemical Property Profile of Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester
Property Insights of Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester. Following Lipinski's Rule of Five, Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester has 0 hydrogen bond donor(s) and 7 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 Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester?
The CAS number of Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester is 70103-77-4.
What is the molecular formula of Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester?
The molecular formula of Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester is C7H12N2O5.
What is the molecular weight of Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester?
The molecular weight of Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester is 204.07 g/mol.
Where can I buy Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester?
You can request a quote for Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-((acetoxymethyl)nitrosamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.