2,5-Xylenol, 4,6-dinitro-
TL;DR: 2,5-Xylenol, 4,6-dinitro- (CAS 15968-56-6) is a chemical compound with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethyl-2,4-dinitrophenol
Also Known As: 3,6-dimethyl-2,4-dinitrophenol, Phenol, 3,6-dimethyl-2,4-dinitro-, 4,5-xylenol, 2,5-Xylenol, 4,6-dinitro-, 4,6-Dinitro-2,5-xylenol
| Molecular Formula | C8H8N2O5 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.04332 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 15968-56-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1O)[N+](=O)[O-])C)[N+](=O)[O-] |
| InChIKey | RROXWBBJMPCPHD-UHFFFAOYSA-N |
Product Overview
2,5-Xylenol, 4,6-dinitro- (CAS 15968-56-6), with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol. IUPAC: 3,6-dimethyl-2,4-dinitrophenol.
Chemical Property Profile of 2,5-Xylenol, 4,6-dinitro-
Property Insights of 2,5-Xylenol, 4,6-dinitro-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Xylenol, 4,6-dinitro-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Xylenol, 4,6-dinitro-. Following Lipinski's Rule of Five, 2,5-Xylenol, 4,6-dinitro- has 1 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 2,5-Xylenol, 4,6-dinitro-?
The CAS number of 2,5-Xylenol, 4,6-dinitro- is 15968-56-6.
What is the molecular formula of 2,5-Xylenol, 4,6-dinitro-?
The molecular formula of 2,5-Xylenol, 4,6-dinitro- is C8H8N2O5.
What is the molecular weight of 2,5-Xylenol, 4,6-dinitro-?
The molecular weight of 2,5-Xylenol, 4,6-dinitro- is 212.04 g/mol.
Where can I buy 2,5-Xylenol, 4,6-dinitro-?
You can request a quote for 2,5-Xylenol, 4,6-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Xylenol, 4,6-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Xylenol, 4,6-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.