![Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate structure](/static/products/7404/7404-35-5.webp)
Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate
TL;DR: Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate (CAS 7404-35-5) is a chemical compound with molecular formula C13H14N6O3 and molecular weight 302.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate
Also Known As: ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate, Benzoic acid,4-[(2,6-diamino-5-nitroso-4-pyrimidinyl)amino]-, ethyl ester, Benzoic acid,4-[(2,6-diamino-5-nitroso-4-pyrimidinyl)amino]-,ethyl ester
| Molecular Formula | C13H14N6O3 |
|---|---|
| Molecular Weight | 302.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.11273 |
| Heavy Atoms | 22 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 7404-35-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2N=O)N)N |
| InChIKey | UKIQCHYTMCCITC-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate (CAS 7404-35-5), with molecular formula C13H14N6O3 and molecular weight 302.11 g/mol. IUPAC: ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate.
Chemical Property Profile of Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate
Property Insights of Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate. The TPSA of 146.0 Ų indicates high polarity, suggesting Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate has 3 hydrogen bond donor(s) and 9 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-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate?
The CAS number of Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate is 7404-35-5.
What is the molecular formula of Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate?
The molecular formula of Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate is C13H14N6O3.
What is the molecular weight of Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate?
The molecular weight of Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate is 302.11 g/mol.
Where can I buy Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate?
You can request a quote for Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]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-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.