Oxathiolan 5IU-.b.
TL;DR: Oxathiolan 5IU-.b. (CAS 145986-17-0) is a chemical compound with molecular formula C8H9IN2O4S and molecular weight 355.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Oxathiolan 5IU-.b.
1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodopyrimidine-2,4-dione
Also Known As: Oxathiolan 5IU-.b., Oxathiolan 5IU-beta, Oxathiolan 5IU-.a., 2,4(1H,3H)-Pyrimidinedione, 1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-iodo-, (2R-cis)-, 1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodopyrimidine-2,4-dione
| Molecular Formula | C8H9IN2O4S |
|---|---|
| Molecular Weight | 355.93 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.93277 |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 145986-17-0 |
|---|---|
| SMILES | C1[C@H](O[C@H](S1)CO)N2C=C(C(=O)NC2=O)I |
| InChIKey | UYRNPIMGMUUQJL-NTSWFWBYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxathiolan 5IU-.b. (CAS 145986-17-0), with molecular formula C8H9IN2O4S and molecular weight 355.93 g/mol. IUPAC: 1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodopyrimidine-2,4-dione.
Chemical Property Profile of Oxathiolan 5IU-.b.
Property Insights of Oxathiolan 5IU-.b.
The XLogP value of -0.2 indicates that Oxathiolan 5IU-.b. is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxathiolan 5IU-.b.. Following Lipinski's Rule of Five, Oxathiolan 5IU-.b. has 2 hydrogen bond donor(s) and 5 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 Oxathiolan 5IU-.b.?
The CAS number of Oxathiolan 5IU-.b. is 145986-17-0.
What is the molecular formula of Oxathiolan 5IU-.b.?
The molecular formula of Oxathiolan 5IU-.b. is C8H9IN2O4S.
What is the molecular weight of Oxathiolan 5IU-.b.?
The molecular weight of Oxathiolan 5IU-.b. is 355.93 g/mol.
Where can I buy Oxathiolan 5IU-.b.?
You can request a quote for Oxathiolan 5IU-.b. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxathiolan 5IU-.b.?
Yes, KEHONG BIO provides custom synthesis services for Oxathiolan 5IU-.b. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.