Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine
TL;DR: Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine (CAS 35931-57-8) is a chemical compound with molecular formula C20H27N4O11PS and molecular weight 562.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylsulfanyl]phosphinic acid
Also Known As: TPST, d(Tpst), Thymidyl-PS-thymidine, Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine, Thymidine, thymidylyl-(3'-5')-5'-thio-
| Molecular Formula | C20H27N4O11PS |
|---|---|
| Molecular Weight | 562.11 g/mol |
| LogP | -1.14936 |
| Topological Polar Surface Area | 215.17 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 562.11346 |
| Heavy Atoms | 37 |
| Complexity | 1331.34 |
Chemical Identifiers
| CAS Number | 35931-57-8 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)SC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)O |
Product Overview
Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine (CAS 35931-57-8), with molecular formula C20H27N4O11PS and molecular weight 562.11 g/mol. IUPAC: [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylsulfanyl]phosphinic acid.
Chemical Property Profile of Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine
Property Insights of Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine
The XLogP value of -1.14936 indicates that Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 215.17 Ų indicates high polarity, suggesting Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine has 5 hydrogen bond donor(s) and 11 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')-5'-thio-5'-deoxythymidine?
The CAS number of Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine is 35931-57-8.
What is the molecular formula of Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine?
The molecular formula of Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine is C20H27N4O11PS.
What is the molecular weight of Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine?
The molecular weight of Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine is 562.11 g/mol.
Where can I buy Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine?
You can request a quote for Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine 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')-5'-thio-5'-deoxythymidine?
Yes, KEHONG BIO provides custom synthesis services for Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.