9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)-
TL;DR: 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)- (CAS 121123-91-9) 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.
(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolane-3-carbonitrile
Also Known As: Adenine deriv., CNddA, adenosine, 3'-C-cyano-3'-deoxy-, 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)-, 9-(3-C-cyano-3-deoxy-beta-D-xylopentofuranosyl)adenine
| Molecular Formula | C11H12N6O3 |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.09708 |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 121123-91-9 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)C#N)O)N |
| InChIKey | PGZCHDSYRDIAPC-YKNIRZDTSA-N |
Product Overview
9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)- (CAS 121123-91-9), with molecular formula C11H12N6O3 and molecular weight 276.10 g/mol. IUPAC: (2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolane-3-carbonitrile.
Chemical Property Profile of 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)-
Property Insights of 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)-
The XLogP value of -0.7 indicates that 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)- 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 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)-?
The CAS number of 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)- is 121123-91-9.
What is the molecular formula of 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)-?
The molecular formula of 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)- is C11H12N6O3.
What is the molecular weight of 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)-?
The molecular weight of 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)- is 276.10 g/mol.
Where can I buy 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)-?
You can request a quote for 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purin-6-amine, 9-(3-cyano-3-deoxy-beta-D-xylofuranosyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.