1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione
TL;DR: 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione (CAS 4586-65-6) is a chemical compound with molecular formula C16H13NO5 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione
Also Known As: Psi-taraxasterol acetate, Urs-20-en-3-ol acetate, NCIOpen2_002576, 3-(p-Methoxyphenyl)-indazole, KST-1B4358
| Molecular Formula | C16H13NO5 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.07938 |
| Heavy Atoms | 22 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 4586-65-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | IGEZAWGTOAHSLD-UHFFFAOYSA-N |
Product Overview
1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione (CAS 4586-65-6), with molecular formula C16H13NO5 and molecular weight 299.08 g/mol. IUPAC: 1-(4-methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione.
Chemical Property Profile of 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione
Property Insights of 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione. Following Lipinski's Rule of Five, 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione has 0 hydrogen bond donor(s) and 5 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 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione?
The CAS number of 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione is 4586-65-6.
What is the molecular formula of 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione?
The molecular formula of 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione is C16H13NO5.
What is the molecular weight of 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione?
The molecular weight of 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione is 299.08 g/mol.
Where can I buy 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione?
You can request a quote for 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.