3,5-二硝基邻甲酚
TL;DR: 3,5-二硝基邻甲酚 (CAS 497-56-3) is a chemical compound with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二硝基邻甲酚
2-methyl-3,5-dinitrophenol
Also Known As: 3,5-Dinitro-o-cresol, 2-Methyl-3,5-dinitrophenol, 3,5-Dinitro-ortho-cresol, o-Cresol, 3,5-dinitro-, Phenol,5-dinitro-
| Molecular Formula | C7H6N2O5 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.02766 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 497-56-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KSHJAFFDLKPUMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二硝基邻甲酚 (CAS 497-56-3), with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol. IUPAC: 2-methyl-3,5-dinitrophenol.
Chemical Property Profile of 3,5-二硝基邻甲酚
Property Insights of 3,5-二硝基邻甲酚
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二硝基邻甲酚. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-二硝基邻甲酚. Following Lipinski's Rule of Five, 3,5-二硝基邻甲酚 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 3,5-二硝基邻甲酚?
The CAS number of 3,5-二硝基邻甲酚 is 497-56-3.
What is the molecular formula of 3,5-二硝基邻甲酚?
The molecular formula of 3,5-二硝基邻甲酚 is C7H6N2O5.
What is the molecular weight of 3,5-二硝基邻甲酚?
The molecular weight of 3,5-二硝基邻甲酚 is 198.03 g/mol.
Where can I buy 3,5-二硝基邻甲酚?
You can request a quote for 3,5-二硝基邻甲酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二硝基邻甲酚?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二硝基邻甲酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.