3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime
TL;DR: 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime (CAS 20417-83-8) is a chemical compound with molecular formula C7H13N3O4 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3-methyl-3-nitrobutan-2-ylidene)amino] N-methylcarbamate
Also Known As: 3-METHYL -3-NITRO-2-BUTANONE O-(METHYLCARBAMOYL )OXIME
| Molecular Formula | C7H13N3O4 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.0906 |
| Heavy Atoms | 14 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 20417-83-8 |
|---|---|
| SMILES | CC(=NOC(=O)NC)C(C)(C)[N+](=O)[O-] |
| InChIKey | AOPFWACZRPAAQD-UHFFFAOYSA-N |
Product Overview
3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime (CAS 20417-83-8), with molecular formula C7H13N3O4 and molecular weight 203.09 g/mol. IUPAC: [(3-methyl-3-nitrobutan-2-ylidene)amino] N-methylcarbamate.
Chemical Property Profile of 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime
Property Insights of 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime. Following Lipinski's Rule of Five, 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime has 1 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 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime?
The CAS number of 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime is 20417-83-8.
What is the molecular formula of 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime?
The molecular formula of 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime is C7H13N3O4.
What is the molecular weight of 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime?
The molecular weight of 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime is 203.09 g/mol.
Where can I buy 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime?
You can request a quote for 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-3-nitro-2-butanone O-(methylcarbamoyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.