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Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate
TL;DR: Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate (CAS 28492-53-7) is a chemical compound with molecular formula C14H13N5O2 and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(6-aminopurin-9-yl)methyl]benzoate
Also Known As: NCIOpen2_003383, methyl 4-[(6-aminopurin-9-yl)methyl]benzoate, methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate, Benzoic acid,4-[(6-amino-9H-purin-9-yl)methyl]-, methyl ester
| Molecular Formula | C14H13N5O2 |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.10693 |
| Heavy Atoms | 21 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 28492-53-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)N |
| InChIKey | JCTLAKKLMOTLCE-UHFFFAOYSA-N |
Product Overview
Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate (CAS 28492-53-7), with molecular formula C14H13N5O2 and molecular weight 283.11 g/mol. IUPAC: methyl 4-[(6-aminopurin-9-yl)methyl]benzoate.
Chemical Property Profile of Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate
Property Insights of Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate has 1 hydrogen bond donor(s) and 6 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 Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate?
The CAS number of Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate is 28492-53-7.
What is the molecular formula of Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate?
The molecular formula of Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate is C14H13N5O2.
What is the molecular weight of Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate?
The molecular weight of Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate is 283.11 g/mol.
Where can I buy Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate?
You can request a quote for Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(6-amino-9h-purin-9-yl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.