4'-Ethynyl-2'-deoxyadenosine
TL;DR: 4'-Ethynyl-2'-deoxyadenosine (CAS 306305-07-7) is a chemical compound with molecular formula C12H13N5O3 and molecular weight 275.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol
Also Known As: EdAdo, 4'-ethynyl-2'-deoxyadenosine, 4'-C-ethynyl dAdo, 2'-deoxy-4'-ethynyladenosine, 2'-Deoxy-4'-C-ethynyl-Adenosine
| Molecular Formula | C12H13N5O3 |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.10184 |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 306305-07-7 |
|---|---|
| SMILES | C#C[C@]1([C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)CO |
| InChIKey | HMIGVKANVVLEOA-JOAULVNJSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Ethynyl-2'-deoxyadenosine (CAS 306305-07-7), with molecular formula C12H13N5O3 and molecular weight 275.10 g/mol. IUPAC: (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol.
Chemical Property Profile of 4'-Ethynyl-2'-deoxyadenosine
Property Insights of 4'-Ethynyl-2'-deoxyadenosine
The XLogP value of -0.6 indicates that 4'-Ethynyl-2'-deoxyadenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Ethynyl-2'-deoxyadenosine. Following Lipinski's Rule of Five, 4'-Ethynyl-2'-deoxyadenosine has 3 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 4'-Ethynyl-2'-deoxyadenosine?
The CAS number of 4'-Ethynyl-2'-deoxyadenosine is 306305-07-7.
What is the molecular formula of 4'-Ethynyl-2'-deoxyadenosine?
The molecular formula of 4'-Ethynyl-2'-deoxyadenosine is C12H13N5O3.
What is the molecular weight of 4'-Ethynyl-2'-deoxyadenosine?
The molecular weight of 4'-Ethynyl-2'-deoxyadenosine is 275.10 g/mol.
Where can I buy 4'-Ethynyl-2'-deoxyadenosine?
You can request a quote for 4'-Ethynyl-2'-deoxyadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Ethynyl-2'-deoxyadenosine?
Yes, KEHONG BIO provides custom synthesis services for 4'-Ethynyl-2'-deoxyadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.