1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone
TL;DR: 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone (CAS 6335-45-1) is a chemical compound with molecular formula C8H6N2O7 and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dihydroxy-3,5-dinitrophenyl)ethanone
Also Known As: 1-(2,4-dihydroxy-3,5-dinitrophenyl)ethanone, 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone, 1-(2,4-DIHYDROXY-3,5-DINITROPHENYL)ETHAN-1-ONE, RefChem:222858
| Molecular Formula | C8H6N2O7 |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.0175 |
| Heavy Atoms | 17 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 6335-45-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C(=C1O)[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | QDLZDWNEBVTPAI-UHFFFAOYSA-N |
Product Overview
1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone (CAS 6335-45-1), with molecular formula C8H6N2O7 and molecular weight 242.02 g/mol. IUPAC: 1-(2,4-dihydroxy-3,5-dinitrophenyl)ethanone.
Chemical Property Profile of 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone
Property Insights of 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone. The TPSA of 149.0 Ų indicates high polarity, suggesting 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone has 2 hydrogen bond donor(s) and 7 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-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone?
The CAS number of 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone is 6335-45-1.
What is the molecular formula of 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone?
The molecular formula of 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone is C8H6N2O7.
What is the molecular weight of 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone?
The molecular weight of 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone is 242.02 g/mol.
Where can I buy 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone?
You can request a quote for 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dihydroxy-3,5-dinitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.