4-Thio UMP
TL;DR: 4-Thio UMP (CAS 4145-46-4) is a chemical compound with molecular formula C9H13N2O8PS and molecular weight 340.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 4-Thio UMP, 4-Thiouridine 5 inverted exclamation marka-monophosphate sodium salt, [3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
| Molecular Formula | C9H13N2O8PS |
|---|---|
| Molecular Weight | 340.01 g/mol |
| LogP | -1.36561 |
| Topological Polar Surface Area | 154.24 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.01303 |
| Heavy Atoms | 21 |
| Complexity | 668.2018 |
Chemical Identifiers
| CAS Number | 4145-46-4 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=S)C2C(C(C(O2)COP(=O)(O)O)O)O |
Product Overview
4-Thio UMP (CAS 4145-46-4), with molecular formula C9H13N2O8PS and molecular weight 340.01 g/mol. IUPAC: [3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 4-Thio UMP
Property Insights of 4-Thio UMP
The XLogP value of -1.36561 indicates that 4-Thio UMP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.24 Ų indicates high polarity, suggesting 4-Thio UMP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Thio UMP 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 4-Thio UMP?
The CAS number of 4-Thio UMP is 4145-46-4.
What is the molecular formula of 4-Thio UMP?
The molecular formula of 4-Thio UMP is C9H13N2O8PS.
What is the molecular weight of 4-Thio UMP?
The molecular weight of 4-Thio UMP is 340.01 g/mol.
Where can I buy 4-Thio UMP?
You can request a quote for 4-Thio UMP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thio UMP?
Yes, KEHONG BIO provides custom synthesis services for 4-Thio UMP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.