Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine
TL;DR: Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine (CAS 15436-20-1) is a chemical compound with molecular formula C19H24FN4O12P and molecular weight 550.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
Also Known As: Dtpdfu, KST-1A1683, Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine, thymidylyl-(3/'-5/')-2/'-deoxy-5-fluorouridine, Thymidine, 2'-deoxy-5-fluorouridyl-(5'-3')-
| Molecular Formula | C19H24FN4O12P |
|---|---|
| Molecular Weight | 550.11 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 550.11127 |
| Heavy Atoms | 37 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 15436-20-1 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)F)O |
| InChIKey | IGJXAMJSWYEODZ-BBZRCZKMSA-N |
Product Overview
Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine (CAS 15436-20-1), with molecular formula C19H24FN4O12P and molecular weight 550.11 g/mol. IUPAC: [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate.
Chemical Property Profile of Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine
Property Insights of Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine
The XLogP value of -3.2 indicates that Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine?
The CAS number of Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine is 15436-20-1.
What is the molecular formula of Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine?
The molecular formula of Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine is C19H24FN4O12P.
What is the molecular weight of Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine?
The molecular weight of Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine is 550.11 g/mol.
Where can I buy Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine?
You can request a quote for Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine?
Yes, KEHONG BIO provides custom synthesis services for Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.