5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine
TL;DR: 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine (CAS 497063-40-8) is a chemical compound with molecular formula C16H13N5O3 and molecular weight 323.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine
Also Known As: 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine, 5-nitro-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine, 5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine, AB00356411-02, F0543-0097
| Molecular Formula | C16H13N5O3 |
|---|---|
| Molecular Weight | 323.10 g/mol |
| LogP | 3.5029 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.10184 |
| Heavy Atoms | 24 |
| Complexity | 853.3467 |
Chemical Identifiers
| CAS Number | 497063-40-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N |
Product Overview
5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine (CAS 497063-40-8), with molecular formula C16H13N5O3 and molecular weight 323.10 g/mol. IUPAC: 5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine.
Chemical Property Profile of 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine
Property Insights of 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine
The XLogP value of 3.5029 indicates that 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine has 2 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 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine?
The CAS number of 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine is 497063-40-8.
What is the molecular formula of 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine?
The molecular formula of 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine is C16H13N5O3.
What is the molecular weight of 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine?
The molecular weight of 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine is 323.10 g/mol.
Where can I buy 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine?
You can request a quote for 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-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 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.