1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one
TL;DR: 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one (CAS 91134-62-2) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,5-dimethoxy-2-nitrophenyl)propan-1-one
Also Known As: 1-(4,5-dimethoxy-2-nitrophenyl)propan-1-one, 1-(4,5-Dimethoxy-2-nitro-phenyl)-propan-1-one, 1-(4,5-dimethoxy-2-nitrophenyl)-1-propanone
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 2.2047 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 455.42017 |
Chemical Identifiers
| CAS Number | 91134-62-2 |
|---|---|
| SMILES | CCC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC |
Product Overview
1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one (CAS 91134-62-2), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: 1-(4,5-dimethoxy-2-nitrophenyl)propan-1-one.
Chemical Property Profile of 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one
Property Insights of 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one
The XLogP value of 2.2047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one. Following Lipinski's Rule of Five, 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one has 0 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 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one?
The CAS number of 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one is 91134-62-2.
What is the molecular formula of 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one?
The molecular formula of 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one is C11H13NO5.
What is the molecular weight of 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one?
The molecular weight of 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one is 239.08 g/mol.
Where can I buy 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one?
You can request a quote for 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,5-Dimethoxy-2-nitrophenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.