2-Hexynyladenosine
TL;DR: 2-Hexynyladenosine (CAS 90596-73-9) is a chemical compound with molecular formula C16H21N5O4 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hex-2-ynoxymethyl)oxolane-3,4-diol
Also Known As: 2-Hexynyladenosine, 2-H-Ado, 2-(1-hexynyl)adenosine, 5'-O-(Hex-2-yn-1-yl)adenosine, 9-[5-O-(Hex-2-yn-1-yl)pentofuranosyl]-9H-purin-6-amine
| Molecular Formula | C16H21N5O4 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.15936 |
| Heavy Atoms | 25 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 90596-73-9 |
|---|---|
| SMILES | CCCC#CCOC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | WIFJRCTUSUFDOJ-XNIJJKJLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexynyladenosine (CAS 90596-73-9), with molecular formula C16H21N5O4 and molecular weight 347.16 g/mol. IUPAC: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hex-2-ynoxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-Hexynyladenosine
Property Insights of 2-Hexynyladenosine
The XLogP value of -0.3 indicates that 2-Hexynyladenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hexynyladenosine. Following Lipinski's Rule of Five, 2-Hexynyladenosine 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 2-Hexynyladenosine?
The CAS number of 2-Hexynyladenosine is 90596-73-9.
What is the molecular formula of 2-Hexynyladenosine?
The molecular formula of 2-Hexynyladenosine is C16H21N5O4.
What is the molecular weight of 2-Hexynyladenosine?
The molecular weight of 2-Hexynyladenosine is 347.16 g/mol.
Where can I buy 2-Hexynyladenosine?
You can request a quote for 2-Hexynyladenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexynyladenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexynyladenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.