![2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one structure](/static/products/5474/54744-88-6.webp)
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one
TL;DR: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one (CAS 54744-88-6) is a chemical compound with molecular formula C11H15N5O5S and molecular weight 329.08 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]-1-methyl-6-sulfanylidene-7H-purin-8-one
Also Known As: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one, 2-Amino-1-methyl-9-pentofuranosyl-6-sulfanylidene-1,6,7,9-tetrahydro-8H-purin-8-one
| Molecular Formula | C11H15N5O5S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | -2.01371 |
| Topological Polar Surface Area | 151.55 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.07938 |
| Heavy Atoms | 22 |
| Complexity | 841.73596 |
Chemical Identifiers
| CAS Number | 54744-88-6 |
|---|---|
| SMILES | CN1C(=S)C2=C(N=C1N)N(C(=O)N2)C3C(C(C(O3)CO)O)O |
Product Overview
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one (CAS 54744-88-6), with molecular formula C11H15N5O5S and molecular weight 329.08 g/mol. IUPAC: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one.
Chemical Property Profile of 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one
Property Insights of 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one
The XLogP value of -2.01371 indicates that 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.55 Ų indicates high polarity, suggesting 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one 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]-1-methyl-6-sulfanylidene-7H-purin-8-one has 5 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 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one?
The CAS number of 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one is 54744-88-6.
What is the molecular formula of 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one?
The molecular formula of 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one is C11H15N5O5S.
What is the molecular weight of 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one?
The molecular weight of 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one is 329.08 g/mol.
Where can I buy 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one?
You can request a quote for 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one 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]-1-methyl-6-sulfanylidene-7H-purin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.