N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine
TL;DR: N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine (CAS 799835-87-3) is a chemical compound with molecular formula C15H13ClN6O3 and molecular weight 360.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: 4-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine, N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine, N4-(4-CHLOROPHENYL)-N2-(FURAN-2-YLMETHYL)-5-NITROPYRIMIDINE-2,4,6-TRIAMINE
| Molecular Formula | C15H13ClN6O3 |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 3.5691 |
| Topological Polar Surface Area | 132.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.07376 |
| Heavy Atoms | 25 |
| Complexity | 883.0373 |
Chemical Identifiers
| CAS Number | 799835-87-3 |
|---|---|
| SMILES | C1=COC(=C1)CNC2=NC(=C(C(=N2)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])N |
Product Overview
N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine (CAS 799835-87-3), with molecular formula C15H13ClN6O3 and molecular weight 360.07 g/mol. IUPAC: 4-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine
Property Insights of N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 3.5691 indicates that N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine has 3 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 N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine?
The CAS number of N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine is 799835-87-3.
What is the molecular formula of N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine is C15H13ClN6O3.
What is the molecular weight of N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine is 360.07 g/mol.
Where can I buy N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N~4~-(4-chlorophenyl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.