1-Butanone, 3-methyl-2-nitro-1-phenyl-
TL;DR: 1-Butanone, 3-methyl-2-nitro-1-phenyl- (CAS 59906-55-7) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-nitro-1-phenylbutan-1-one
Also Known As: 3-methyl-2-nitro-1-phenylbutan-1-one, 1-Butanone, 3-methyl-2-nitro-1-phenyl-, 3-Methyl-2-nitro-1-phenyl-1-butanone, 1-Butanone, 3-methyl-2-nitro-1-phenyl, 3-Methyl-2-nitro-1-phenyl-1-butanone #
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 59906-55-7 |
|---|---|
| SMILES | CC(C)C(C(=O)C1=CC=CC=C1)[N+](=O)[O-] |
| InChIKey | MYZKCYIJSRUXMZ-UHFFFAOYSA-N |
Product Overview
1-Butanone, 3-methyl-2-nitro-1-phenyl- (CAS 59906-55-7), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 3-methyl-2-nitro-1-phenylbutan-1-one.
Chemical Property Profile of 1-Butanone, 3-methyl-2-nitro-1-phenyl-
Property Insights of 1-Butanone, 3-methyl-2-nitro-1-phenyl-
The XLogP value of 3.0 indicates that 1-Butanone, 3-methyl-2-nitro-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butanone, 3-methyl-2-nitro-1-phenyl-. Following Lipinski's Rule of Five, 1-Butanone, 3-methyl-2-nitro-1-phenyl- 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 1-Butanone, 3-methyl-2-nitro-1-phenyl-?
The CAS number of 1-Butanone, 3-methyl-2-nitro-1-phenyl- is 59906-55-7.
What is the molecular formula of 1-Butanone, 3-methyl-2-nitro-1-phenyl-?
The molecular formula of 1-Butanone, 3-methyl-2-nitro-1-phenyl- is C11H13NO3.
What is the molecular weight of 1-Butanone, 3-methyl-2-nitro-1-phenyl-?
The molecular weight of 1-Butanone, 3-methyl-2-nitro-1-phenyl- is 207.09 g/mol.
Where can I buy 1-Butanone, 3-methyl-2-nitro-1-phenyl-?
You can request a quote for 1-Butanone, 3-methyl-2-nitro-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 3-methyl-2-nitro-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 3-methyl-2-nitro-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.