Ethyl adenosine-5'-carboxylate
TL;DR: Ethyl adenosine-5'-carboxylate (CAS 54532-18-2) is a chemical compound with molecular formula C12H15N5O5 and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate
Also Known As: Ethyl adenosine-5'-carboxylate, Abbott 40557, ethyladenosine-5'-carboxylate, Abbott 40557, mono-hydrochloride, adenosine-5'-carboxylic acid ethyl ester
| Molecular Formula | C12H15N5O5 |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.10733 |
| Heavy Atoms | 22 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 54532-18-2 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | IHTXJAFDKUQWOX-MCHASIABSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl adenosine-5'-carboxylate (CAS 54532-18-2), with molecular formula C12H15N5O5 and molecular weight 309.11 g/mol. IUPAC: ethyl (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate.
Chemical Property Profile of Ethyl adenosine-5'-carboxylate
Property Insights of Ethyl adenosine-5'-carboxylate
The XLogP value of -0.1 indicates that Ethyl adenosine-5'-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting Ethyl adenosine-5'-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl adenosine-5'-carboxylate 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 adenosine-5'-carboxylate?
The CAS number of Ethyl adenosine-5'-carboxylate is 54532-18-2.
What is the molecular formula of Ethyl adenosine-5'-carboxylate?
The molecular formula of Ethyl adenosine-5'-carboxylate is C12H15N5O5.
What is the molecular weight of Ethyl adenosine-5'-carboxylate?
The molecular weight of Ethyl adenosine-5'-carboxylate is 309.11 g/mol.
Where can I buy Ethyl adenosine-5'-carboxylate?
You can request a quote for Ethyl adenosine-5'-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl adenosine-5'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl adenosine-5'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.