Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate
TL;DR: Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate (CAS 502181-08-0) is a chemical compound with molecular formula C15H12N4O7 and molecular weight 360.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate
Also Known As: dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate
| Molecular Formula | C15H12N4O7 |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.0706 |
| Heavy Atoms | 26 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 502181-08-0 |
|---|---|
| SMILES | COC(=O)C1=C(C(=NC(=N1)N)C(=O)OC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | ALRVPSJKZUTSMT-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate (CAS 502181-08-0), with molecular formula C15H12N4O7 and molecular weight 360.07 g/mol. IUPAC: dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate.
Chemical Property Profile of Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate
Property Insights of Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate. The TPSA of 167.0 Ų indicates high polarity, suggesting Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate has 1 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-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate?
The CAS number of Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate is 502181-08-0.
What is the molecular formula of Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate?
The molecular formula of Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate is C15H12N4O7.
What is the molecular weight of Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate?
The molecular weight of Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate is 360.07 g/mol.
Where can I buy Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate?
You can request a quote for Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-amino-5-(3-nitrobenzoyl)pyrimidine-4,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.