m-Nitro-benzalacetone
TL;DR: m-Nitro-benzalacetone (CAS 7466-48-0) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-nitrophenyl)but-3-en-2-one
Also Known As: m-nitro-benzalacetone, 4-(3-nitrophenyl)but-3-en-2-one, (E)-4-(3-nitrophenyl)but-3-en-2-one
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 7466-48-0 |
|---|---|
| SMILES | CC(=O)C=CC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | OPKJBIYOZSELCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-Nitro-benzalacetone (CAS 7466-48-0), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 4-(3-nitrophenyl)but-3-en-2-one.
Chemical Property Profile of m-Nitro-benzalacetone
Property Insights of m-Nitro-benzalacetone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Nitro-benzalacetone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Nitro-benzalacetone. Following Lipinski's Rule of Five, m-Nitro-benzalacetone 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 m-Nitro-benzalacetone?
The CAS number of m-Nitro-benzalacetone is 7466-48-0.
What is the molecular formula of m-Nitro-benzalacetone?
The molecular formula of m-Nitro-benzalacetone is C10H9NO3.
What is the molecular weight of m-Nitro-benzalacetone?
The molecular weight of m-Nitro-benzalacetone is 191.06 g/mol.
Where can I buy m-Nitro-benzalacetone?
You can request a quote for m-Nitro-benzalacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Nitro-benzalacetone?
Yes, KEHONG BIO provides custom synthesis services for m-Nitro-benzalacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.