2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide
TL;DR: 2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide (CAS 142103-08-0) is a chemical compound with molecular formula C17H22N6O4 and molecular weight 374.17 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-dihydroxy-N-methyloxolane-2-carboxamide
Also Known As: 2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide, 2-(1-Hexynyl)-5 -(methylamino)-5 -oxo-5 -deoxyadenosine, (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-N-methyl-oxolane-2-carboxamide, (2S,3S,4R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
| Molecular Formula | C17H22N6O4 |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | -0.6846 |
| Topological Polar Surface Area | 148.41 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.17026 |
| Heavy Atoms | 27 |
| Complexity | 901.94116 |
Chemical Identifiers
| CAS Number | 142103-08-0 |
|---|---|
| SMILES | CCCCC#CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NC)O)O)N |
Product Overview
2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide (CAS 142103-08-0), with molecular formula C17H22N6O4 and molecular weight 374.17 g/mol. IUPAC: (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide.
Chemical Property Profile of 2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide
Property Insights of 2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide
The XLogP value of -0.6846 indicates that 2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.41 Ų indicates high polarity, suggesting 2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(1-hexyn-1-yl)adenosine-5'-N-methyl 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'-N-methyl uronamide?
The CAS number of 2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide is 142103-08-0.
What is the molecular formula of 2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide?
The molecular formula of 2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide is C17H22N6O4.
What is the molecular weight of 2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide?
The molecular weight of 2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide is 374.17 g/mol.
Where can I buy 2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide?
You can request a quote for 2-(1-hexyn-1-yl)adenosine-5'-N-methyl 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'-N-methyl uronamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-hexyn-1-yl)adenosine-5'-N-methyl uronamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.