Dimethyl nitroterephthalate
TL;DR: Dimethyl nitroterephthalate (CAS 5292-45-5) is a chemical compound with molecular formula C10H9NO6 and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-nitrobenzene-1,4-dicarboxylate
Also Known As: Dimethyl 2-nitroterephthalate, Dimethyl nitroterephthalate, Dimethyl 2-nitrobenzene-1,4-dicarboxylate, Dimethyl2-nitroterephthalate, Dimethylnitroterephthalate
| Molecular Formula | C10H9NO6 |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.04298 |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 5292-45-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)[N+](=O)[O-] |
| InChIKey | PAYWCKGMOYQZAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl nitroterephthalate (CAS 5292-45-5), with molecular formula C10H9NO6 and molecular weight 239.04 g/mol. IUPAC: dimethyl 2-nitrobenzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl nitroterephthalate
Property Insights of Dimethyl nitroterephthalate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl nitroterephthalate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl nitroterephthalate. Following Lipinski's Rule of Five, Dimethyl nitroterephthalate has 0 hydrogen bond donor(s) and 6 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 Dimethyl nitroterephthalate?
The CAS number of Dimethyl nitroterephthalate is 5292-45-5.
What is the molecular formula of Dimethyl nitroterephthalate?
The molecular formula of Dimethyl nitroterephthalate is C10H9NO6.
What is the molecular weight of Dimethyl nitroterephthalate?
The molecular weight of Dimethyl nitroterephthalate is 239.04 g/mol.
Where can I buy Dimethyl nitroterephthalate?
You can request a quote for Dimethyl nitroterephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl nitroterephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl nitroterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.