3,5-二硝基水杨酸
TL;DR: 3,5-二硝基水杨酸 (CAS 609-99-4) is a chemical compound with molecular formula C7H4N2O7 and molecular weight 228.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二硝基水杨酸
2-hydroxy-3,5-dinitrobenzoic acid
Also Known As: 3,5-DINITROSALICYLIC ACID, 2-Hydroxy-3,5-dinitrobenzoic acid, 3,5-Dinitrosalicylate, 3,5-Dinitro-2-hydroxybenzoic acid, Benzoic acid, 2-hydroxy-3,5-dinitro-
| Molecular Formula | C7H4N2O7 |
|---|---|
| Molecular Weight | 228.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.00185 |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
| Vapor Pressure | 0.00000002 [mmHg] |
Chemical Identifiers
| CAS Number | 609-99-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(=O)O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LWFUFLREGJMOIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二硝基水杨酸 (CAS 609-99-4), with molecular formula C7H4N2O7 and molecular weight 228.00 g/mol. IUPAC: 2-hydroxy-3,5-dinitrobenzoic acid.
Chemical Property Profile of 3,5-二硝基水杨酸
Property Insights of 3,5-二硝基水杨酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二硝基水杨酸. The TPSA of 149.0 Ų indicates high polarity, suggesting 3,5-二硝基水杨酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-二硝基水杨酸 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 3,5-二硝基水杨酸?
The CAS number of 3,5-二硝基水杨酸 is 609-99-4.
What is the molecular formula of 3,5-二硝基水杨酸?
The molecular formula of 3,5-二硝基水杨酸 is C7H4N2O7.
What is the molecular weight of 3,5-二硝基水杨酸?
The molecular weight of 3,5-二硝基水杨酸 is 228.00 g/mol.
Where can I buy 3,5-二硝基水杨酸?
You can request a quote for 3,5-二硝基水杨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二硝基水杨酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二硝基水杨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.