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Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate
TL;DR: Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate (CAS 4323-06-2) is a chemical compound with molecular formula C16H16N6O3 and molecular weight 340.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(6-aminopurin-9-yl)acetyl]amino]benzoate
Also Known As: NCIOpen2_009120, ethyl 4-{[(6-amino-9h-purin-9-yl)acetyl]amino}benzoate, ethyl 4-[[2-(6-aminopurin-9-yl)acetyl]amino]benzoate, Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate
| Molecular Formula | C16H16N6O3 |
|---|---|
| Molecular Weight | 340.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.1284 |
| Heavy Atoms | 25 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 4323-06-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(N=CN=C32)N |
| InChIKey | RVCBAMIEYYMANI-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate (CAS 4323-06-2), with molecular formula C16H16N6O3 and molecular weight 340.13 g/mol. IUPAC: ethyl 4-[[2-(6-aminopurin-9-yl)acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate
Property Insights of Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate 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 Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate?
The CAS number of Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate is 4323-06-2.
What is the molecular formula of Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate?
The molecular formula of Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate is C16H16N6O3.
What is the molecular weight of Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate?
The molecular weight of Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate is 340.13 g/mol.
Where can I buy Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate?
You can request a quote for Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]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-amino-9H-purin-9-yl)acetamido]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[2-(6-amino-9H-purin-9-yl)acetamido]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.