Dimethyl 2-bromo-5-nitroterephthalate
TL;DR: Dimethyl 2-bromo-5-nitroterephthalate (CAS 312591-22-3) is a chemical compound with molecular formula C10H8BrNO6 and molecular weight 316.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-bromo-5-nitrobenzene-1,4-dicarboxylate
Also Known As: dimethyl 2-bromo-5-nitroterephthalate, dimethyl 2-bromo-5-nitrobenzene-1,4-dicarboxylate
| Molecular Formula | C10H8BrNO6 |
|---|---|
| Molecular Weight | 316.95 g/mol |
| LogP | 1.9305 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.9535 |
| Heavy Atoms | 18 |
| Complexity | 527.34436 |
Chemical Identifiers
| CAS Number | 312591-22-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1Br)C(=O)OC)[N+](=O)[O-] |
Product Overview
Dimethyl 2-bromo-5-nitroterephthalate (CAS 312591-22-3), with molecular formula C10H8BrNO6 and molecular weight 316.95 g/mol. IUPAC: dimethyl 2-bromo-5-nitrobenzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-bromo-5-nitroterephthalate
Property Insights of Dimethyl 2-bromo-5-nitroterephthalate
The XLogP value of 1.9305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-bromo-5-nitroterephthalate. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-bromo-5-nitroterephthalate. Following Lipinski's Rule of Five, Dimethyl 2-bromo-5-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 2-bromo-5-nitroterephthalate?
The CAS number of Dimethyl 2-bromo-5-nitroterephthalate is 312591-22-3.
What is the molecular formula of Dimethyl 2-bromo-5-nitroterephthalate?
The molecular formula of Dimethyl 2-bromo-5-nitroterephthalate is C10H8BrNO6.
What is the molecular weight of Dimethyl 2-bromo-5-nitroterephthalate?
The molecular weight of Dimethyl 2-bromo-5-nitroterephthalate is 316.95 g/mol.
Where can I buy Dimethyl 2-bromo-5-nitroterephthalate?
You can request a quote for Dimethyl 2-bromo-5-nitroterephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-bromo-5-nitroterephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-bromo-5-nitroterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.