4,4-Dimethyl-5-nitropentan-2-one
TL;DR: 4,4-Dimethyl-5-nitropentan-2-one (CAS 35223-73-5) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-5-nitropentan-2-one
Also Known As: 4,4-dimethyl-5-nitropentan-2-one, 4,4-dimethyl-5-nitro-pentan-2-one, 2-Pentanone, 4,4-dimethyl-5-nitro-, 4,4-Dimethyl-5-nitro-2-pentanone, 5-Nitro-4,4-dimethyl-2-pentanone
| Molecular Formula | C7H13NO3 |
|---|---|
| Molecular Weight | 159.09 g/mol |
| LogP | 1.2684 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 159.08954 |
| Heavy Atoms | 11 |
| Complexity | 156.5245 |
Chemical Identifiers
| CAS Number | 35223-73-5 |
|---|---|
| SMILES | CC(=O)CC(C)(C)C[N+](=O)[O-] |
Product Overview
4,4-Dimethyl-5-nitropentan-2-one (CAS 35223-73-5), with molecular formula C7H13NO3 and molecular weight 159.09 g/mol. IUPAC: 4,4-dimethyl-5-nitropentan-2-one.
Chemical Property Profile of 4,4-Dimethyl-5-nitropentan-2-one
Property Insights of 4,4-Dimethyl-5-nitropentan-2-one
The XLogP value of 1.2684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-5-nitropentan-2-one. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-5-nitropentan-2-one. Following Lipinski's Rule of Five, 4,4-Dimethyl-5-nitropentan-2-one 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 4,4-Dimethyl-5-nitropentan-2-one?
The CAS number of 4,4-Dimethyl-5-nitropentan-2-one is 35223-73-5.
What is the molecular formula of 4,4-Dimethyl-5-nitropentan-2-one?
The molecular formula of 4,4-Dimethyl-5-nitropentan-2-one is C7H13NO3.
What is the molecular weight of 4,4-Dimethyl-5-nitropentan-2-one?
The molecular weight of 4,4-Dimethyl-5-nitropentan-2-one is 159.09 g/mol.
Where can I buy 4,4-Dimethyl-5-nitropentan-2-one?
You can request a quote for 4,4-Dimethyl-5-nitropentan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-5-nitropentan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-5-nitropentan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.