Isotiazofurin
TL;DR: Isotiazofurin (CAS 69244-25-3) is a chemical compound with molecular formula C9H12N2O5S and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-2-carboxamide
Also Known As: Isotiazofurin, KST-1A7761, 4-beta-D-Ribofuranosylthiazole-2-carboxamide, 2-Thiazolecarboxamide, 4-beta-D-ribofuranosyl-, 2-Thiazolecarboxamide, 4-.beta.-D-ribofuranosyl-
| Molecular Formula | C9H12N2O5S |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0467 |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 69244-25-3 |
|---|---|
| SMILES | C1=C(N=C(S1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O |
| InChIKey | OUMYBZQESQTRHV-GBNDHIKLSA-N |
Product Overview
Isotiazofurin (CAS 69244-25-3), with molecular formula C9H12N2O5S and molecular weight 260.05 g/mol. IUPAC: 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-2-carboxamide.
Chemical Property Profile of Isotiazofurin
Property Insights of Isotiazofurin
The XLogP value of -1.7 indicates that Isotiazofurin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting Isotiazofurin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isotiazofurin has 4 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 Isotiazofurin?
The CAS number of Isotiazofurin is 69244-25-3.
What is the molecular formula of Isotiazofurin?
The molecular formula of Isotiazofurin is C9H12N2O5S.
What is the molecular weight of Isotiazofurin?
The molecular weight of Isotiazofurin is 260.05 g/mol.
Where can I buy Isotiazofurin?
You can request a quote for Isotiazofurin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotiazofurin?
Yes, KEHONG BIO provides custom synthesis services for Isotiazofurin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.