5-Thiobredinin
TL;DR: 5-Thiobredinin (CAS 99119-72-9) is a chemical compound with molecular formula C9H13N3O5S and molecular weight 275.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylimidazole-4-carboxamide
Also Known As: 5-Thiobredinin, 5-Mercapto-1-beta-D-ribofuranosyl-1H-imidazole-4-carboxamide, 5-mercapto-1-, A-d-ribofuranosylimidazole-4-carboxamide, 1-Pentofuranosyl-5-sulfanyl-1H-imidazole-4-carboxamide
| Molecular Formula | C9H13N3O5S |
|---|---|
| Molecular Weight | 275.06 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.0576 |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 99119-72-9 |
|---|---|
| SMILES | C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)S)C(=O)N |
| InChIKey | UAAHUTRMZCQRBF-ZIYNGMLESA-N |
Product Overview
5-Thiobredinin (CAS 99119-72-9), with molecular formula C9H13N3O5S and molecular weight 275.06 g/mol. IUPAC: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylimidazole-4-carboxamide.
Chemical Property Profile of 5-Thiobredinin
Property Insights of 5-Thiobredinin
The XLogP value of -1.9 indicates that 5-Thiobredinin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thiobredinin. Following Lipinski's Rule of Five, 5-Thiobredinin has 5 hydrogen bond donor(s) and 7 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 5-Thiobredinin?
The CAS number of 5-Thiobredinin is 99119-72-9.
What is the molecular formula of 5-Thiobredinin?
The molecular formula of 5-Thiobredinin is C9H13N3O5S.
What is the molecular weight of 5-Thiobredinin?
The molecular weight of 5-Thiobredinin is 275.06 g/mol.
Where can I buy 5-Thiobredinin?
You can request a quote for 5-Thiobredinin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Thiobredinin?
Yes, KEHONG BIO provides custom synthesis services for 5-Thiobredinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.