4'-C-cyano dAdo
TL;DR: 4'-C-cyano dAdo (CAS 583047-53-4) is a chemical compound with molecular formula C11H12N6O3 and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile
Also Known As: 4'-C-cyano dAdo, 4 -Cyano-2 -deoxyadenosine, 4 -C-Cyano-2 -deoxyadenosine, J1.747.118J, 4'-C-Cyano-2'-deoxyadenosine, (1R,3S,4R)
| Molecular Formula | C11H12N6O3 |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | -1.05702 |
| Topological Polar Surface Area | 143.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.09708 |
| Heavy Atoms | 20 |
| Complexity | 695.01355 |
Chemical Identifiers
| CAS Number | 583047-53-4 |
|---|---|
| SMILES | C1[C@@H]([C@](O[C@H]1N2C=NC3=C(N=CN=C32)N)(CO)C#N)O |
Product Overview
4'-C-cyano dAdo (CAS 583047-53-4), with molecular formula C11H12N6O3 and molecular weight 276.10 g/mol. IUPAC: (2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile.
Chemical Property Profile of 4'-C-cyano dAdo
Property Insights of 4'-C-cyano dAdo
The XLogP value of -1.05702 indicates that 4'-C-cyano dAdo is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.1 Ų indicates high polarity, suggesting 4'-C-cyano dAdo may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-C-cyano dAdo has 3 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 4'-C-cyano dAdo?
The CAS number of 4'-C-cyano dAdo is 583047-53-4.
What is the molecular formula of 4'-C-cyano dAdo?
The molecular formula of 4'-C-cyano dAdo is C11H12N6O3.
What is the molecular weight of 4'-C-cyano dAdo?
The molecular weight of 4'-C-cyano dAdo is 276.10 g/mol.
Where can I buy 4'-C-cyano dAdo?
You can request a quote for 4'-C-cyano dAdo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-C-cyano dAdo?
Yes, KEHONG BIO provides custom synthesis services for 4'-C-cyano dAdo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.