4-硝基亚苄基丙酮
TL;DR: 4-硝基亚苄基丙酮 (CAS 3490-37-7) 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-硝基亚苄基丙酮
4-(4-nitrophenyl)but-3-en-2-one
Also Known As: 4-(4-nitrophenyl)but-3-en-2-one, p-nitrobenzalacetone, p-nitrobenzylidenacetone, 4-NITROBENZAL-ACETON, 3-Buten-2-one, 4-(4-nitrophenyl)-
| 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 | 247.0 |
Chemical Identifiers
| CAS Number | 3490-37-7 |
|---|---|
| SMILES | CC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | KMCRQJMZUHNLKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基亚苄基丙酮 (CAS 3490-37-7), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 4-(4-nitrophenyl)but-3-en-2-one.
Chemical Property Profile of 4-硝基亚苄基丙酮
Property Insights of 4-硝基亚苄基丙酮
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基亚苄基丙酮. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基亚苄基丙酮. Following Lipinski's Rule of Five, 4-硝基亚苄基丙酮 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-硝基亚苄基丙酮?
The CAS number of 4-硝基亚苄基丙酮 is 3490-37-7.
What is the molecular formula of 4-硝基亚苄基丙酮?
The molecular formula of 4-硝基亚苄基丙酮 is C10H9NO3.
What is the molecular weight of 4-硝基亚苄基丙酮?
The molecular weight of 4-硝基亚苄基丙酮 is 191.06 g/mol.
Where can I buy 4-硝基亚苄基丙酮?
You can request a quote for 4-硝基亚苄基丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基亚苄基丙酮?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基亚苄基丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.