![4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one structure](/static/products/6328/6328-76-3.webp)
4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one
TL;DR: 4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one (CAS 6328-76-3) is a chemical compound with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,5-dimethoxy-2-nitroanilino)butan-2-one
Also Known As: 4-[(4,5-dimethoxy-2-nitrophenyl)amino]butan-2-one, 4-(4,5-dimethoxy-2-nitroanilino)butan-2-one
| Molecular Formula | C12H16N2O5 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.10593 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 6328-76-3 |
|---|---|
| SMILES | CC(=O)CCNC1=CC(=C(C=C1[N+](=O)[O-])OC)OC |
| InChIKey | OYMLETLKIKZBOE-UHFFFAOYSA-N |
Product Overview
4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one (CAS 6328-76-3), with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol. IUPAC: 4-(4,5-dimethoxy-2-nitroanilino)butan-2-one.
Chemical Property Profile of 4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one
Property Insights of 4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one. Following Lipinski's Rule of Five, 4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one has 1 hydrogen bond donor(s) and 6 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-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one?
The CAS number of 4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one is 6328-76-3.
What is the molecular formula of 4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one?
The molecular formula of 4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one is C12H16N2O5.
What is the molecular weight of 4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one?
The molecular weight of 4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one is 268.11 g/mol.
Where can I buy 4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one?
You can request a quote for 4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-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-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4,5-Dimethoxy-2-nitrophenyl)amino]butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.