Thymidine 3'-O-(methanephosphonothioate)
TL;DR: Thymidine 3'-O-(methanephosphonothioate) (CAS 13618-87-6) is a chemical compound with molecular formula C11H17N2O6PS and molecular weight 336.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-[hydroxy(methyl)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: THMPT, Thymidine 3'-O-(methanephosphonothioate), 3'-o-[hydroxy(methyl)phosphorothioyl]thymidine, 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-[hydroxy(methyl)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione, 1-[(2r,4s,5r)-5-(hydroxymethyl)-4-(hydroxy-methylphosphinothioyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
| Molecular Formula | C11H17N2O6PS |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.0545 |
| Heavy Atoms | 21 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 13618-87-6 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=S)(C)O |
| InChIKey | NXMPRJWULIZIIN-FRBZENMSSA-N |
Product Overview
Thymidine 3'-O-(methanephosphonothioate) (CAS 13618-87-6), with molecular formula C11H17N2O6PS and molecular weight 336.05 g/mol. IUPAC: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-[hydroxy(methyl)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of Thymidine 3'-O-(methanephosphonothioate)
Property Insights of Thymidine 3'-O-(methanephosphonothioate)
The XLogP value of -0.2 indicates that Thymidine 3'-O-(methanephosphonothioate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting Thymidine 3'-O-(methanephosphonothioate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidine 3'-O-(methanephosphonothioate) has 3 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 Thymidine 3'-O-(methanephosphonothioate)?
The CAS number of Thymidine 3'-O-(methanephosphonothioate) is 13618-87-6.
What is the molecular formula of Thymidine 3'-O-(methanephosphonothioate)?
The molecular formula of Thymidine 3'-O-(methanephosphonothioate) is C11H17N2O6PS.
What is the molecular weight of Thymidine 3'-O-(methanephosphonothioate)?
The molecular weight of Thymidine 3'-O-(methanephosphonothioate) is 336.05 g/mol.
Where can I buy Thymidine 3'-O-(methanephosphonothioate)?
You can request a quote for Thymidine 3'-O-(methanephosphonothioate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine 3'-O-(methanephosphonothioate)?
Yes, KEHONG BIO provides custom synthesis services for Thymidine 3'-O-(methanephosphonothioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.