![2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile structure](/static/products/7813/78131-38-1.webp)
2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile
TL;DR: 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile (CAS 78131-38-1) is a chemical compound with molecular formula C11H12N6O4 and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile
Also Known As: 2-Amino-9-pentofuranosyl-9H-purine-6-carbonitrile, 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile
| Molecular Formula | C11H12N6O4 |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.092 |
| Heavy Atoms | 21 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 78131-38-1 |
|---|---|
| SMILES | C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)N)C#N |
| InChIKey | SYWSWYOKAKFAPY-UHFFFAOYSA-N |
Product Overview
2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile (CAS 78131-38-1), with molecular formula C11H12N6O4 and molecular weight 292.09 g/mol. IUPAC: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile.
Chemical Property Profile of 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile
Property Insights of 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile
The XLogP value of -1.0 indicates that 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile has 4 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-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile?
The CAS number of 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile is 78131-38-1.
What is the molecular formula of 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile?
The molecular formula of 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile is C11H12N6O4.
What is the molecular weight of 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile?
The molecular weight of 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile is 292.09 g/mol.
Where can I buy 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile?
You can request a quote for 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.