Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate
TL;DR: Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate (CAS 25616-63-1) is a chemical compound with molecular formula C10H13N5O4 and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
Also Known As: Entadenine methyl ester, Eritadenine methyl ester, methyl -4- -2,3-dihydroxy-butanoate, (2R,3R)-Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate, methyl (2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
| Molecular Formula | C10H13N5O4 |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.09674 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 25616-63-1 |
|---|---|
| SMILES | COC(=O)[C@@H]([C@@H](CN1C=NC2=C(N=CN=C21)N)O)O |
| InChIKey | DQSWNDKQONYEFS-IYSWYEEDSA-N |
Product Overview
Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate (CAS 25616-63-1), with molecular formula C10H13N5O4 and molecular weight 267.10 g/mol. IUPAC: methyl (2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate.
Chemical Property Profile of Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate
Property Insights of Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate
The XLogP value of -1.5 indicates that Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate. Following Lipinski's Rule of Five, Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate has 3 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 Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate?
The CAS number of Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate is 25616-63-1.
What is the molecular formula of Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate?
The molecular formula of Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate is C10H13N5O4.
What is the molecular weight of Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate?
The molecular weight of Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate is 267.10 g/mol.
Where can I buy Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate?
You can request a quote for Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate 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)-2,3-dihydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.