3,6-二硝基邻苯二甲酸
TL;DR: 3,6-二硝基邻苯二甲酸 (CAS 2300-16-5) is a chemical compound with molecular formula C8H4N2O8 and molecular weight 256.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-二硝基邻苯二甲酸
3,6-dinitrophthalic acid
Also Known As: 3,6-Dinitrophthalic acid, 3,6-Dinitrophthalsaure, 3,6-dinitrophthalicacid, Pomalidomide Impurity 41, 3,6-Dinitro-phthalsaeure
| Molecular Formula | C8H4N2O8 |
|---|---|
| Molecular Weight | 256.00 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.99677 |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 2300-16-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-] |
| InChIKey | MZDSOZBFTCRKNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-二硝基邻苯二甲酸 (CAS 2300-16-5), with molecular formula C8H4N2O8 and molecular weight 256.00 g/mol. IUPAC: 3,6-dinitrophthalic acid.
Chemical Property Profile of 3,6-二硝基邻苯二甲酸
Property Insights of 3,6-二硝基邻苯二甲酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-二硝基邻苯二甲酸. The TPSA of 166.0 Ų indicates high polarity, suggesting 3,6-二硝基邻苯二甲酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,6-二硝基邻苯二甲酸 has 2 hydrogen bond donor(s) and 8 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 3,6-二硝基邻苯二甲酸?
The CAS number of 3,6-二硝基邻苯二甲酸 is 2300-16-5.
What is the molecular formula of 3,6-二硝基邻苯二甲酸?
The molecular formula of 3,6-二硝基邻苯二甲酸 is C8H4N2O8.
What is the molecular weight of 3,6-二硝基邻苯二甲酸?
The molecular weight of 3,6-二硝基邻苯二甲酸 is 256.00 g/mol.
Where can I buy 3,6-二硝基邻苯二甲酸?
You can request a quote for 3,6-二硝基邻苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-二硝基邻苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3,6-二硝基邻苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.