2-Butanone, 3-methyl-3-nitroso-
TL;DR: 2-Butanone, 3-methyl-3-nitroso- (CAS 6931-05-1) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3-nitrosobutan-2-one
Also Known As: 2-Butanone, 3-methyl-3-nitroso-, 3-methyl-3-nitrosobutan-2-one, 2-methyl-2-nitroso-3-butanone, 2-Butanone, 3-methyl-3-nitroso- (6CI,7CI,8CI,9CI), RefChem:257808
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 6931-05-1 |
|---|---|
| SMILES | CC(=O)C(C)(C)N=O |
| InChIKey | BNYBZCCLCWZWEM-UHFFFAOYSA-N |
Product Overview
2-Butanone, 3-methyl-3-nitroso- (CAS 6931-05-1), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: 3-methyl-3-nitrosobutan-2-one.
Chemical Property Profile of 2-Butanone, 3-methyl-3-nitroso-
Property Insights of 2-Butanone, 3-methyl-3-nitroso-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 3-methyl-3-nitroso-. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Butanone, 3-methyl-3-nitroso- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 3-methyl-3-nitroso- has 0 hydrogen bond donor(s) and 3 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 2-Butanone, 3-methyl-3-nitroso-?
The CAS number of 2-Butanone, 3-methyl-3-nitroso- is 6931-05-1.
What is the molecular formula of 2-Butanone, 3-methyl-3-nitroso-?
The molecular formula of 2-Butanone, 3-methyl-3-nitroso- is C5H9NO2.
What is the molecular weight of 2-Butanone, 3-methyl-3-nitroso-?
The molecular weight of 2-Butanone, 3-methyl-3-nitroso- is 115.06 g/mol.
Where can I buy 2-Butanone, 3-methyl-3-nitroso-?
You can request a quote for 2-Butanone, 3-methyl-3-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 3-methyl-3-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 3-methyl-3-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.