Methanol, 1-(butylnitrosoamino)-, 1-acetate
TL;DR: Methanol, 1-(butylnitrosoamino)-, 1-acetate (CAS 56986-36-8) is a chemical compound with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[butyl(nitroso)amino]methyl acetate
Also Known As: BAMN, Butylnitrosaminomethyl acetate, [butyl(nitroso)amino]methyl acetate, Acetoxymethylbutylnitrosamine, N-Butyl-N-(acetoxymethyl)nitrosamine
| Molecular Formula | C7H14N2O3 |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.10045 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 56986-36-8 |
|---|---|
| SMILES | CCCCN(COC(=O)C)N=O |
| InChIKey | YMUAXKYTHNCMAS-UHFFFAOYSA-N |
Product Overview
Methanol, 1-(butylnitrosoamino)-, 1-acetate (CAS 56986-36-8), with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol. IUPAC: [butyl(nitroso)amino]methyl acetate.
Chemical Property Profile of Methanol, 1-(butylnitrosoamino)-, 1-acetate
Property Insights of Methanol, 1-(butylnitrosoamino)-, 1-acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanol, 1-(butylnitrosoamino)-, 1-acetate. With a topological polar surface area (TPSA) of 59.0 Ų, Methanol, 1-(butylnitrosoamino)-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanol, 1-(butylnitrosoamino)-, 1-acetate has 0 hydrogen bond donor(s) and 5 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 Methanol, 1-(butylnitrosoamino)-, 1-acetate?
The CAS number of Methanol, 1-(butylnitrosoamino)-, 1-acetate is 56986-36-8.
What is the molecular formula of Methanol, 1-(butylnitrosoamino)-, 1-acetate?
The molecular formula of Methanol, 1-(butylnitrosoamino)-, 1-acetate is C7H14N2O3.
What is the molecular weight of Methanol, 1-(butylnitrosoamino)-, 1-acetate?
The molecular weight of Methanol, 1-(butylnitrosoamino)-, 1-acetate is 174.10 g/mol.
Where can I buy Methanol, 1-(butylnitrosoamino)-, 1-acetate?
You can request a quote for Methanol, 1-(butylnitrosoamino)-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanol, 1-(butylnitrosoamino)-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methanol, 1-(butylnitrosoamino)-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.