3-Hexanone, 2,5-dimethyl-4-nitro-
TL;DR: 3-Hexanone, 2,5-dimethyl-4-nitro- (CAS 59906-54-6) is a chemical compound with molecular formula C8H15NO3 and molecular weight 173.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-4-nitrohexan-3-one
Also Known As: 2,5-Dimethyl-4-nitro-3-hexanone, 3-Hexanone,2,5-dimethyl-4-nitro-, 3-Hexanone, 2,5-dimethyl-4-nitro-, 2,5-dimethyl-4-nitrohexan-3-one, 3-hexanone,2,5-dimethyl-4-nitro
| Molecular Formula | C8H15NO3 |
|---|---|
| Molecular Weight | 173.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.1052 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 59906-54-6 |
|---|---|
| SMILES | CC(C)C(C(=O)C(C)C)[N+](=O)[O-] |
| InChIKey | MOADJHPMFUMYQC-UHFFFAOYSA-N |
Product Overview
3-Hexanone, 2,5-dimethyl-4-nitro- (CAS 59906-54-6), with molecular formula C8H15NO3 and molecular weight 173.11 g/mol. IUPAC: 2,5-dimethyl-4-nitrohexan-3-one.
Chemical Property Profile of 3-Hexanone, 2,5-dimethyl-4-nitro-
Property Insights of 3-Hexanone, 2,5-dimethyl-4-nitro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexanone, 2,5-dimethyl-4-nitro-. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hexanone, 2,5-dimethyl-4-nitro-. Following Lipinski's Rule of Five, 3-Hexanone, 2,5-dimethyl-4-nitro- 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 3-Hexanone, 2,5-dimethyl-4-nitro-?
The CAS number of 3-Hexanone, 2,5-dimethyl-4-nitro- is 59906-54-6.
What is the molecular formula of 3-Hexanone, 2,5-dimethyl-4-nitro-?
The molecular formula of 3-Hexanone, 2,5-dimethyl-4-nitro- is C8H15NO3.
What is the molecular weight of 3-Hexanone, 2,5-dimethyl-4-nitro-?
The molecular weight of 3-Hexanone, 2,5-dimethyl-4-nitro- is 173.11 g/mol.
Where can I buy 3-Hexanone, 2,5-dimethyl-4-nitro-?
You can request a quote for 3-Hexanone, 2,5-dimethyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexanone, 2,5-dimethyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexanone, 2,5-dimethyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.