Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate
TL;DR: Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate (CAS 450346-32-4) is a chemical compound with molecular formula C12H10N4O5 and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate
Also Known As: methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate, methyl 4-[(6-amino-5-nitropyrimidin-4-yl)oxy]benzoate, AB00668307-01, F0543-0318, methyl 4-((6-amino-5-nitropyrimidin-4-yl)oxy)benzoate
| Molecular Formula | C12H10N4O5 |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 1.5459 |
| Topological Polar Surface Area | 130.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.06512 |
| Heavy Atoms | 21 |
| Complexity | 686.5472 |
Chemical Identifiers
| CAS Number | 450346-32-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N |
Product Overview
Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate (CAS 450346-32-4), with molecular formula C12H10N4O5 and molecular weight 290.07 g/mol. IUPAC: methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate.
Chemical Property Profile of Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate
Property Insights of Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate
The XLogP value of 1.5459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate. The TPSA of 130.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate. Following Lipinski's Rule of Five, Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate has 1 hydrogen bond donor(s) and 8 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 Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate?
The CAS number of Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate is 450346-32-4.
What is the molecular formula of Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate?
The molecular formula of Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate is C12H10N4O5.
What is the molecular weight of Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate?
The molecular weight of Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate is 290.07 g/mol.
Where can I buy Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate?
You can request a quote for Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.