4-(4-Methoxyphenyl)-5-nitropentan-2-one
TL;DR: 4-(4-Methoxyphenyl)-5-nitropentan-2-one (CAS 157999-01-4) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-5-nitropentan-2-one
Also Known As: 4-(4-methoxyphenyl)-5-nitropentan-2-one, 4-(4-methoxyphenyl)-5-nitro-2-pentanone, 1-Nitro-2-(4-methoxyphenyl)-pentan-4-on, 2-Pentanone,4-(4-methoxyphenyl)-5-nitro-, RefChem:288112
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 157999-01-4 |
|---|---|
| SMILES | CC(=O)CC(C[N+](=O)[O-])C1=CC=C(C=C1)OC |
| InChIKey | WCEZHNWCTGFEQD-UHFFFAOYSA-N |
Product Overview
4-(4-Methoxyphenyl)-5-nitropentan-2-one (CAS 157999-01-4), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 4-(4-methoxyphenyl)-5-nitropentan-2-one.
Chemical Property Profile of 4-(4-Methoxyphenyl)-5-nitropentan-2-one
Property Insights of 4-(4-Methoxyphenyl)-5-nitropentan-2-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxyphenyl)-5-nitropentan-2-one. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methoxyphenyl)-5-nitropentan-2-one. Following Lipinski's Rule of Five, 4-(4-Methoxyphenyl)-5-nitropentan-2-one has 0 hydrogen bond donor(s) and 4 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-Methoxyphenyl)-5-nitropentan-2-one?
The CAS number of 4-(4-Methoxyphenyl)-5-nitropentan-2-one is 157999-01-4.
What is the molecular formula of 4-(4-Methoxyphenyl)-5-nitropentan-2-one?
The molecular formula of 4-(4-Methoxyphenyl)-5-nitropentan-2-one is C12H15NO4.
What is the molecular weight of 4-(4-Methoxyphenyl)-5-nitropentan-2-one?
The molecular weight of 4-(4-Methoxyphenyl)-5-nitropentan-2-one is 237.10 g/mol.
Where can I buy 4-(4-Methoxyphenyl)-5-nitropentan-2-one?
You can request a quote for 4-(4-Methoxyphenyl)-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-Methoxyphenyl)-5-nitropentan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyphenyl)-5-nitropentan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.