Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate
TL;DR: Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate (CAS 450345-46-7) is a chemical compound with molecular formula C14H13N5O6 and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate, AB00354948-02, 1,4-DIMETHYL 2-[(6-AMINO-5-NITROPYRIMIDIN-4-YL)AMINO]BENZENE-1,4-DICARBOXYLATE, dimethyl 2-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,4-dicarboxylate, F0543-0145
| Molecular Formula | C14H13N5O6 |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 1.2838 |
| Topological Polar Surface Area | 159.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.08658 |
| Heavy Atoms | 25 |
| Complexity | 853.60114 |
Chemical Identifiers
| CAS Number | 450345-46-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC2=NC=NC(=C2[N+](=O)[O-])N |
Product Overview
Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate (CAS 450345-46-7), with molecular formula C14H13N5O6 and molecular weight 347.09 g/mol. IUPAC: dimethyl 2-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate
Property Insights of Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate
The XLogP value of 1.2838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate. The TPSA of 159.57 Ų indicates high polarity, suggesting Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate has 2 hydrogen bond donor(s) and 10 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-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate?
The CAS number of Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate is 450345-46-7.
What is the molecular formula of Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate?
The molecular formula of Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate is C14H13N5O6.
What is the molecular weight of Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate?
The molecular weight of Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate is 347.09 g/mol.
Where can I buy Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate?
You can request a quote for Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.