N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine
TL;DR: N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine (CAS 3176-50-9) is a chemical compound with molecular formula C10H9ClN6O and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(4-chlorophenyl)-5-nitrosopyrimidine-2,4,6-triamine
Also Known As: n4-(4-chlorophenyl)-5-nitrosopyrimidine-2,4,6-triamine, 4-N-(4-chlorophenyl)-5-nitrosopyrimidine-2,4,6-triamine, 2,4,6-Pyrimidinetriamine, N4-(4-chlorophenyl)-5-nitroso-, N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine, N~4~-(4-Chlorophenyl)-2-imino-5-nitroso-1,2-dihydropyrimidine-4,6-diamine
| Molecular Formula | C10H9ClN6O |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.05264 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 3176-50-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)Cl |
| InChIKey | BTVPLSHPDHOUBE-UHFFFAOYSA-N |
Product Overview
N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine (CAS 3176-50-9), with molecular formula C10H9ClN6O and molecular weight 264.05 g/mol. IUPAC: 4-N-(4-chlorophenyl)-5-nitrosopyrimidine-2,4,6-triamine.
Chemical Property Profile of N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine
Property Insights of N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine has 3 hydrogen bond donor(s) and 7 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-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
The CAS number of N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine is 3176-50-9.
What is the molecular formula of N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
The molecular formula of N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine is C10H9ClN6O.
What is the molecular weight of N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
The molecular weight of N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine is 264.05 g/mol.
Where can I buy N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
You can request a quote for N4-(4-chlorophenyl)-5-nitroso-pyrimidine-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 N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N4-(4-chlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.