1-Allylisoguanosine
TL;DR: 1-Allylisoguanosine (CAS 140156-26-9) is a chemical compound with molecular formula C13H17N5O5 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-[(Z)-prop-1-enyl]purin-2-one
Also Known As: 1-Allylisoguanosine, Adenosine, 1,2-dihydro-2-oxo-1-(1-propenyl)-, (Z)-, 6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-[(Z)-prop-1-enyl]purin-2-one, RefChem:74841
| Molecular Formula | C13H17N5O5 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | -1.7227 |
| Topological Polar Surface Area | 148.65 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.12296 |
| Heavy Atoms | 23 |
| Complexity | 812.9235 |
Chemical Identifiers
| CAS Number | 140156-26-9 |
|---|---|
| SMILES | C/C=C\N1C(=C2C(=NC1=O)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N |
Product Overview
1-Allylisoguanosine (CAS 140156-26-9), with molecular formula C13H17N5O5 and molecular weight 323.12 g/mol. IUPAC: 6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-[(Z)-prop-1-enyl]purin-2-one.
Chemical Property Profile of 1-Allylisoguanosine
Property Insights of 1-Allylisoguanosine
The XLogP value of -1.7227 indicates that 1-Allylisoguanosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.65 Ų indicates high polarity, suggesting 1-Allylisoguanosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Allylisoguanosine 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 1-Allylisoguanosine?
The CAS number of 1-Allylisoguanosine is 140156-26-9.
What is the molecular formula of 1-Allylisoguanosine?
The molecular formula of 1-Allylisoguanosine is C13H17N5O5.
What is the molecular weight of 1-Allylisoguanosine?
The molecular weight of 1-Allylisoguanosine is 323.12 g/mol.
Where can I buy 1-Allylisoguanosine?
You can request a quote for 1-Allylisoguanosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allylisoguanosine?
Yes, KEHONG BIO provides custom synthesis services for 1-Allylisoguanosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.