Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl ester
TL;DR: Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl ester (CAS 70103-78-5) is a chemical compound with molecular formula C8H14N2O5 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[acetyloxymethyl(nitroso)amino]propyl acetate
Also Known As: Apamn, ACETIC ACID, 4-((ACETOXYMETHYL)NITROSAMINO)PROPYL ESTER, N-(3-Acetoxypropyl)-N-(acetoxymethyl)nitrosamine, 3-[acetyloxymethyl(nitroso)amino]propyl acetate, 3-[(Acetyloxymethyl)nitrosoamino]propyl=acetate
| Molecular Formula | C8H14N2O5 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.09027 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 70103-78-5 |
|---|---|
| SMILES | CC(=O)OCCCN(COC(=O)C)N=O |
| InChIKey | TUBAXSGUCYQUGK-UHFFFAOYSA-N |
Product Overview
Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl ester (CAS 70103-78-5), with molecular formula C8H14N2O5 and molecular weight 218.09 g/mol. IUPAC: 3-[acetyloxymethyl(nitroso)amino]propyl acetate.
Chemical Property Profile of Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl ester
Property Insights of Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl ester. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl ester. Following Lipinski's Rule of Five, Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl 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, 4-((acetoxymethyl)nitrosamino)propyl ester?
The CAS number of Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl ester is 70103-78-5.
What is the molecular formula of Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl ester?
The molecular formula of Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl ester is C8H14N2O5.
What is the molecular weight of Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl ester?
The molecular weight of Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl ester is 218.09 g/mol.
Where can I buy Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl ester?
You can request a quote for Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl 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, 4-((acetoxymethyl)nitrosamino)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 4-((acetoxymethyl)nitrosamino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.