N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine
TL;DR: N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine (CAS 450345-59-2) is a chemical compound with molecular formula C17H15N5O2 and molecular weight 321.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-benzyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine
Also Known As: N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine, N-benzyl-5-nitro-N-phenylpyrimidine-4,6-diamine, 4-N-benzyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine, AB00356791-02, F0543-0196
| Molecular Formula | C17H15N5O2 |
|---|---|
| Molecular Weight | 321.12 g/mol |
| LogP | 3.3053 |
| Topological Polar Surface Area | 98.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.1226 |
| Heavy Atoms | 24 |
| Complexity | 840.11444 |
Chemical Identifiers
| CAS Number | 450345-59-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(C2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N |
Product Overview
N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine (CAS 450345-59-2), with molecular formula C17H15N5O2 and molecular weight 321.12 g/mol. IUPAC: 4-N-benzyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine.
Chemical Property Profile of N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine
Property Insights of N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine
The XLogP value of 3.3053 indicates that N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine. Following Lipinski's Rule of Five, N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine has 1 hydrogen bond donor(s) and 6 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 N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine?
The CAS number of N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine is 450345-59-2.
What is the molecular formula of N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine?
The molecular formula of N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine is C17H15N5O2.
What is the molecular weight of N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine?
The molecular weight of N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine is 321.12 g/mol.
Where can I buy N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine?
You can request a quote for N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N4-benzyl-5-nitro-N4-phenylpyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.