2-Hexynyl-5'-N-ethylcarboxamidoadenosine
TL;DR: 2-Hexynyl-5'-N-ethylcarboxamidoadenosine (CAS 1655-62-5) is a chemical compound with molecular formula C18H24N6O4 and molecular weight 388.19 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)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Also Known As: Heneca, 2-Hexynyl-NECA, 2-Hexynyl-5'-N-ethylcarboxamidoadenosine, NECA, Lopac0_000635
| Molecular Formula | C18H24N6O4 |
|---|---|
| Molecular Weight | 388.19 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.1859 |
| Heavy Atoms | 28 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 1655-62-5 |
|---|---|
| SMILES | CCCCC#CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCC)O)O)N |
| InChIKey | FDEACFAXFCKCHZ-MOROJQBDSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexynyl-5'-N-ethylcarboxamidoadenosine (CAS 1655-62-5), with molecular formula C18H24N6O4 and molecular weight 388.19 g/mol. IUPAC: (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide.
Chemical Property Profile of 2-Hexynyl-5'-N-ethylcarboxamidoadenosine
Property Insights of 2-Hexynyl-5'-N-ethylcarboxamidoadenosine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexynyl-5'-N-ethylcarboxamidoadenosine. The TPSA of 148.0 Ų indicates high polarity, suggesting 2-Hexynyl-5'-N-ethylcarboxamidoadenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Hexynyl-5'-N-ethylcarboxamidoadenosine 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-Hexynyl-5'-N-ethylcarboxamidoadenosine?
The CAS number of 2-Hexynyl-5'-N-ethylcarboxamidoadenosine is 1655-62-5.
What is the molecular formula of 2-Hexynyl-5'-N-ethylcarboxamidoadenosine?
The molecular formula of 2-Hexynyl-5'-N-ethylcarboxamidoadenosine is C18H24N6O4.
What is the molecular weight of 2-Hexynyl-5'-N-ethylcarboxamidoadenosine?
The molecular weight of 2-Hexynyl-5'-N-ethylcarboxamidoadenosine is 388.19 g/mol.
Where can I buy 2-Hexynyl-5'-N-ethylcarboxamidoadenosine?
You can request a quote for 2-Hexynyl-5'-N-ethylcarboxamidoadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexynyl-5'-N-ethylcarboxamidoadenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexynyl-5'-N-ethylcarboxamidoadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.