2-(1-Hexyn-1-yl)adenosine-5'-uronamide
TL;DR: 2-(1-Hexyn-1-yl)adenosine-5'-uronamide (CAS 142103-07-9) is a chemical compound with molecular formula C16H20N6O4 and molecular weight 360.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Also Known As: 2-(1-Hexyn-1-yl)adenosine-5'-uronamide, 2-(1-Hexyn-1-yl)adenosine-5/'-uronamide, 2-(1-Hexynyl)-5 -amino-5 -oxo-5 -deoxyadenosine, (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide, (2S,3S,4R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9-yl]-3,4-dihydroxyoxolane-2-carboxamide
| Molecular Formula | C16H20N6O4 |
|---|---|
| Molecular Weight | 360.15 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.1546 |
| Heavy Atoms | 26 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 142103-07-9 |
|---|---|
| SMILES | CCCCC#CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)N)O)O)N |
| InChIKey | XKJDQMIBXVCPBQ-MEQWQQMJSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-Hexyn-1-yl)adenosine-5'-uronamide (CAS 142103-07-9), with molecular formula C16H20N6O4 and molecular weight 360.15 g/mol. IUPAC: (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide.
Chemical Property Profile of 2-(1-Hexyn-1-yl)adenosine-5'-uronamide
Property Insights of 2-(1-Hexyn-1-yl)adenosine-5'-uronamide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Hexyn-1-yl)adenosine-5'-uronamide. The TPSA of 162.0 Ų indicates high polarity, suggesting 2-(1-Hexyn-1-yl)adenosine-5'-uronamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(1-Hexyn-1-yl)adenosine-5'-uronamide 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-Hexyn-1-yl)adenosine-5'-uronamide?
The CAS number of 2-(1-Hexyn-1-yl)adenosine-5'-uronamide is 142103-07-9.
What is the molecular formula of 2-(1-Hexyn-1-yl)adenosine-5'-uronamide?
The molecular formula of 2-(1-Hexyn-1-yl)adenosine-5'-uronamide is C16H20N6O4.
What is the molecular weight of 2-(1-Hexyn-1-yl)adenosine-5'-uronamide?
The molecular weight of 2-(1-Hexyn-1-yl)adenosine-5'-uronamide is 360.15 g/mol.
Where can I buy 2-(1-Hexyn-1-yl)adenosine-5'-uronamide?
You can request a quote for 2-(1-Hexyn-1-yl)adenosine-5'-uronamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Hexyn-1-yl)adenosine-5'-uronamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Hexyn-1-yl)adenosine-5'-uronamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.