![Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate structure](/static/products/7313/7313-47-5.webp)
Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate
TL;DR: Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate (CAS 7313-47-5) is a chemical compound with molecular formula C22H26N8O2 and molecular weight 434.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate
Also Known As: Benzoic acid, 4-((2,4-diamino-6-(3-anilino)propylamino)pyrimidin-5-yl)azo-, ethyl ester, 2,4,6-Triamino-5-(4-carbethoxyphenylazo)-6-N-(3-anilino)propylpyrimidine, ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate, 4-((2,4-Diamino-6-(3-anilino)propylamino)pyrimidin-5-yl)azobenzoic acid ethyl ester, p-[[2,4-Diamino-6-[(3-anilinopropyl)amino]pyrimidin-5-yl]azo]benzoic acid ethyl ester
| Molecular Formula | C22H26N8O2 |
|---|---|
| Molecular Weight | 434.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 434.21786 |
| Heavy Atoms | 32 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 7313-47-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2NCCCNC3=CC=CC=C3)N)N |
| InChIKey | OMXYZQOYLZPDMU-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate (CAS 7313-47-5), with molecular formula C22H26N8O2 and molecular weight 434.22 g/mol. IUPAC: ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate.
Chemical Property Profile of Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate
Property Insights of Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate
The XLogP value of 3.9 indicates that Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate has 4 hydrogen bond donor(s) and 10 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 Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate?
The CAS number of Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate is 7313-47-5.
What is the molecular formula of Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate?
The molecular formula of Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate is C22H26N8O2.
What is the molecular weight of Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate?
The molecular weight of Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate is 434.22 g/mol.
Where can I buy Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate?
You can request a quote for Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.