2-Thio-5-carboxymethyluridine
TL;DR: 2-Thio-5-carboxymethyluridine (CAS 58479-77-9) is a chemical compound with molecular formula C11H14N2O7S and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]acetic acid
Also Known As: 5-carboxymethyl-2-thiouridine, 2-Thio-5-carboxymethyluridine, Uridine 5-acetic acid, 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]acetic acid, 5-Pyrimidineacetic acid, 1,2,3,4-tetrahydro-4-oxo-1-beta-D-ribofuranosyl-2-thioxo-
| Molecular Formula | C11H14N2O7S |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | -1.85551 |
| Topological Polar Surface Area | 145.01 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.0522 |
| Heavy Atoms | 21 |
| Complexity | 654.7072 |
Chemical Identifiers
| CAS Number | 58479-77-9 |
|---|---|
| SMILES | C1=C(C(=O)NC(=S)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)CC(=O)O |
Product Overview
2-Thio-5-carboxymethyluridine (CAS 58479-77-9), with molecular formula C11H14N2O7S and molecular weight 318.05 g/mol. IUPAC: 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]acetic acid.
Chemical Property Profile of 2-Thio-5-carboxymethyluridine
Property Insights of 2-Thio-5-carboxymethyluridine
The XLogP value of -1.85551 indicates that 2-Thio-5-carboxymethyluridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.01 Ų indicates high polarity, suggesting 2-Thio-5-carboxymethyluridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Thio-5-carboxymethyluridine 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 2-Thio-5-carboxymethyluridine?
The CAS number of 2-Thio-5-carboxymethyluridine is 58479-77-9.
What is the molecular formula of 2-Thio-5-carboxymethyluridine?
The molecular formula of 2-Thio-5-carboxymethyluridine is C11H14N2O7S.
What is the molecular weight of 2-Thio-5-carboxymethyluridine?
The molecular weight of 2-Thio-5-carboxymethyluridine is 318.05 g/mol.
Where can I buy 2-Thio-5-carboxymethyluridine?
You can request a quote for 2-Thio-5-carboxymethyluridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thio-5-carboxymethyluridine?
Yes, KEHONG BIO provides custom synthesis services for 2-Thio-5-carboxymethyluridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.