3-Isoinosine
TL;DR: 3-Isoinosine (CAS 79624-33-2) is a chemical compound with molecular formula C10H12N4O5 and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-6-one
Also Known As: 3-Isoinosine, 3-Ribofuranosylhypoxanthine, 3-(beta-D-Ribofuranosyl)hypoxanthine, 3-beta-d-ribofuranosylhypoxanthine, 3-Ribofuranosyl-1,6-dihydro-3H-purin-6-one
| Molecular Formula | C10H12N4O5 |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.08078 |
| Heavy Atoms | 19 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 79624-33-2 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| InChIKey | ZZHJEOWCHAELGO-KQYNXXCUSA-N |
Product Overview
3-Isoinosine (CAS 79624-33-2), with molecular formula C10H12N4O5 and molecular weight 268.08 g/mol. IUPAC: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-6-one.
Chemical Property Profile of 3-Isoinosine
Property Insights of 3-Isoinosine
The XLogP value of -1.8 indicates that 3-Isoinosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isoinosine. Following Lipinski's Rule of Five, 3-Isoinosine has 4 hydrogen bond donor(s) and 6 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 3-Isoinosine?
The CAS number of 3-Isoinosine is 79624-33-2.
What is the molecular formula of 3-Isoinosine?
The molecular formula of 3-Isoinosine is C10H12N4O5.
What is the molecular weight of 3-Isoinosine?
The molecular weight of 3-Isoinosine is 268.08 g/mol.
Where can I buy 3-Isoinosine?
You can request a quote for 3-Isoinosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoinosine?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoinosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.