Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl ester
TL;DR: Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl ester (CAS 70103-79-6) is a chemical compound with molecular formula C9H16N2O5 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[acetyloxymethyl(nitroso)amino]butyl acetate
Also Known As: Abamn, ACETIC ACID, 4-((ACETOXYMETHYL)NITROSAMINO)BUTYL ESTER, N-(4-Acetoxybutyl)-N-(acetoxymethyl)nitrosamine, [4-acetyloxybutyl(nitroso)amino]methyl acetate, 4-[acetyloxymethyl(nitroso)amino]butyl acetate
| Molecular Formula | C9H16N2O5 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 232.10593 |
| Heavy Atoms | 16 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 70103-79-6 |
|---|---|
| SMILES | CC(=O)OCCCCN(COC(=O)C)N=O |
| InChIKey | XFODLDRCNGJESN-UHFFFAOYSA-N |
Product Overview
Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl ester (CAS 70103-79-6), with molecular formula C9H16N2O5 and molecular weight 232.11 g/mol. IUPAC: 4-[acetyloxymethyl(nitroso)amino]butyl acetate.
Chemical Property Profile of Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl ester
Property Insights of Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl ester. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl ester. Following Lipinski's Rule of Five, Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl 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)butyl ester?
The CAS number of Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl ester is 70103-79-6.
What is the molecular formula of Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl ester?
The molecular formula of Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl ester is C9H16N2O5.
What is the molecular weight of Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl ester?
The molecular weight of Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl ester is 232.11 g/mol.
Where can I buy Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl ester?
You can request a quote for Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl 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)butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 4-((acetoxymethyl)nitrosamino)butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.