![Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate structure](/static/products/4503/450345-47-8.webp)
Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate (CAS 450345-47-8) 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 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
Also Known As: AB00355973-02, dimethyl 5-((6-amino-5-nitropyrimidin-4-yl)amino)isophthalate, dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate, F0543-0146, 1,3-DIMETHYL 5-[(6-AMINO-5-NITROPYRIMIDIN-4-YL)AMINO]BENZENE-1,3-DICARBOXYLATE
| 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 | 819.35114 |
Chemical Identifiers
| CAS Number | 450345-47-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N)C(=O)OC |
Product Overview
Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate (CAS 450345-47-8), with molecular formula C14H13N5O6 and molecular weight 347.09 g/mol. IUPAC: dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
The XLogP value of 1.2838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate. The TPSA of 159.57 Ų indicates high polarity, suggesting Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate 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 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate is 450345-47-8.
What is the molecular formula of Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate is C14H13N5O6.
What is the molecular weight of Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate is 347.09 g/mol.
Where can I buy Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-[(6-amino-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.