![Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate structure](/static/products/4503/450345-17-2.webp)
Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate
TL;DR: Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate (CAS 450345-17-2) is a chemical compound with molecular formula C15H17N5O4 and molecular weight 331.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate
Also Known As: butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate, AB00668247-01, butyl 4-((6-amino-5-nitropyrimidin-4-yl)amino)benzoate, F0543-0096
| Molecular Formula | C15H17N5O4 |
|---|---|
| Molecular Weight | 331.13 g/mol |
| LogP | 2.6675 |
| Topological Polar Surface Area | 133.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.12805 |
| Heavy Atoms | 24 |
| Complexity | 733.1443 |
Chemical Identifiers
| CAS Number | 450345-17-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N |
Product Overview
Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate (CAS 450345-17-2), with molecular formula C15H17N5O4 and molecular weight 331.13 g/mol. IUPAC: butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate.
Chemical Property Profile of Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate
Property Insights of Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate
The XLogP value of 2.6675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate. The TPSA of 133.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate. Following Lipinski's Rule of Five, Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate has 2 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 Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate?
The CAS number of Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate is 450345-17-2.
What is the molecular formula of Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate?
The molecular formula of Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate is C15H17N5O4.
What is the molecular weight of Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate?
The molecular weight of Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate is 331.13 g/mol.
Where can I buy Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate?
You can request a quote for Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.