2-(1-pentynyl)adenosine
TL;DR: 2-(1-pentynyl)adenosine (CAS 99044-60-7) is a chemical compound with molecular formula C15H19N5O4 and molecular weight 333.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-(6-amino-2-pent-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 2-(1-pentynyl)adenosine, 2-(1-pentyn-1-yl)adenosine, Adenosine, 2-(1-pentynyl)-, Adenosine, 2-(1-pentynyl)- (9CI), (2R,3R,4S,5R)-2-(6-Amino-2-(pent-1-yn-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
| Molecular Formula | C15H19N5O4 |
|---|---|
| Molecular Weight | 333.14 g/mol |
| LogP | -0.8284 |
| Topological Polar Surface Area | 139.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.1437 |
| Heavy Atoms | 24 |
| Complexity | 796.23883 |
Chemical Identifiers
| CAS Number | 99044-60-7 |
|---|---|
| SMILES | CCCC#CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N |
Product Overview
2-(1-pentynyl)adenosine (CAS 99044-60-7), with molecular formula C15H19N5O4 and molecular weight 333.14 g/mol. IUPAC: (2R,3R,4S,5R)-2-(6-amino-2-pent-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-(1-pentynyl)adenosine
Property Insights of 2-(1-pentynyl)adenosine
The XLogP value of -0.8284 indicates that 2-(1-pentynyl)adenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-pentynyl)adenosine. Following Lipinski's Rule of Five, 2-(1-pentynyl)adenosine has 4 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-(1-pentynyl)adenosine?
The CAS number of 2-(1-pentynyl)adenosine is 99044-60-7.
What is the molecular formula of 2-(1-pentynyl)adenosine?
The molecular formula of 2-(1-pentynyl)adenosine is C15H19N5O4.
What is the molecular weight of 2-(1-pentynyl)adenosine?
The molecular weight of 2-(1-pentynyl)adenosine is 333.14 g/mol.
Where can I buy 2-(1-pentynyl)adenosine?
You can request a quote for 2-(1-pentynyl)adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-pentynyl)adenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-pentynyl)adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.