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Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate
TL;DR: Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate (CAS 28951-82-8) is a chemical compound with molecular formula C15H17N7O2 and molecular weight 327.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate
Also Known As: Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate, ETHYL 4-{[(2,6-DIAMINO-7H-PURIN-8-YL)METHYL]AMINO}BENZOATE
| Molecular Formula | C15H17N7O2 |
|---|---|
| Molecular Weight | 327.14 g/mol |
| LogP | 1.3061 |
| Topological Polar Surface Area | 144.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.14438 |
| Heavy Atoms | 24 |
| Complexity | 873.41 |
Chemical Identifiers
| CAS Number | 28951-82-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2=NC3=NC(=NC(=C3N2)N)N |
Product Overview
Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate (CAS 28951-82-8), with molecular formula C15H17N7O2 and molecular weight 327.14 g/mol. IUPAC: ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate.
Chemical Property Profile of Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate
Property Insights of Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate
The XLogP value of 1.3061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate. The TPSA of 144.83 Ų indicates high polarity, suggesting Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate has 4 hydrogen bond donor(s) and 8 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-7H-purin-8-yl)methylamino]benzoate?
The CAS number of Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate is 28951-82-8.
What is the molecular formula of Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate?
The molecular formula of Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate is C15H17N7O2.
What is the molecular weight of Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate?
The molecular weight of Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate is 327.14 g/mol.
Where can I buy Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate?
You can request a quote for Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]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-7H-purin-8-yl)methylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.