4-硝基亚苄基丙酮
TL;DR: 4-硝基亚苄基丙酮 (CAS 946-49-6) 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
(E)-4-(4-nitrophenyl)but-3-en-2-one
Also Known As: 4-(4-nitrophenyl)but-3-en-2-one, (E)-4-(4-nitrophenyl)but-3-en-2-one, 4-nitrobenzalacetone, 4-(4-NITROPHENYL)-3-BUTEN-2-ONE, 4-(p-Nitrophenyl)-3-butene-2-one
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 2.197 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 378.85852 |
Chemical Identifiers
| CAS Number | 946-49-6 |
|---|---|
| SMILES | CC(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
4-硝基亚苄基丙酮 (CAS 946-49-6), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: (E)-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 2.197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基亚苄基丙酮. The TPSA of 60.21 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 946-49-6.
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.