2-(1-Hexynyl)-8-propylaminoadenosine
TL;DR: 2-(1-Hexynyl)-8-propylaminoadenosine (CAS 457061-08-4) is a chemical compound with molecular formula C19H28N6O4 and molecular weight 404.22 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-hex-1-ynyl-8-(propylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 2-(1-Hexynyl)-8-propylaminoadenosine, 2-(1-Hexynyl)-8-(propylamino)-Adenosine, Adenosine, 2-(1-hexynyl)-8-(propylamino)-, (2R,5R)-2-(6-amino-2-hex-1-ynyl-8-propylamino-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C19H28N6O4 |
|---|---|
| Molecular Weight | 404.22 g/mol |
| LogP | 0.3836 |
| Topological Polar Surface Area | 151.57 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.2172 |
| Heavy Atoms | 29 |
| Complexity | 905.46204 |
Chemical Identifiers
| CAS Number | 457061-08-4 |
|---|---|
| SMILES | CCCCC#CC1=NC(=C2C(=N1)N(C(=N2)NCCC)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N |
Product Overview
2-(1-Hexynyl)-8-propylaminoadenosine (CAS 457061-08-4), with molecular formula C19H28N6O4 and molecular weight 404.22 g/mol. IUPAC: (2R,3R,4S,5R)-2-[6-amino-2-hex-1-ynyl-8-(propylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-(1-Hexynyl)-8-propylaminoadenosine
Property Insights of 2-(1-Hexynyl)-8-propylaminoadenosine
The XLogP value of 0.3836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Hexynyl)-8-propylaminoadenosine. The TPSA of 151.57 Ų indicates high polarity, suggesting 2-(1-Hexynyl)-8-propylaminoadenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(1-Hexynyl)-8-propylaminoadenosine has 5 hydrogen bond donor(s) and 9 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-Hexynyl)-8-propylaminoadenosine?
The CAS number of 2-(1-Hexynyl)-8-propylaminoadenosine is 457061-08-4.
What is the molecular formula of 2-(1-Hexynyl)-8-propylaminoadenosine?
The molecular formula of 2-(1-Hexynyl)-8-propylaminoadenosine is C19H28N6O4.
What is the molecular weight of 2-(1-Hexynyl)-8-propylaminoadenosine?
The molecular weight of 2-(1-Hexynyl)-8-propylaminoadenosine is 404.22 g/mol.
Where can I buy 2-(1-Hexynyl)-8-propylaminoadenosine?
You can request a quote for 2-(1-Hexynyl)-8-propylaminoadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Hexynyl)-8-propylaminoadenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Hexynyl)-8-propylaminoadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.