2-methylthio-N(6)-(N-threonylcarbonyl)adenine
TL;DR: 2-methylthio-N(6)-(N-threonylcarbonyl)adenine (CAS 132603-04-4) is a chemical compound with molecular formula C11H14N6O4S and molecular weight 326.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S)-3-hydroxy-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]butanoic acid
Also Known As: mS(2)tc(6)Ade, 2-Methylthio-N(6)-(N-threonylcarbonyl)adenine, N-L-Alanyl-L-tyrosin-aethylester,Hydrochlorid, (2R,3S)-3-hydroxy-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]butanoic acid, N-{[2-(Methylsulfanyl)-7H-purin-6-yl]carbamoyl}-D-threonine
Technical Specifications
| Molecular Formula | C11H14N6O4S |
| Molecular Weight | 326.0797 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 178.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.0797 Da |
| Heavy Atoms | 22 |
| Complexity | 427.0 |
| SMILES | C[C@@H]([C@H](C(=O)O)NC(=O)NC1=NC(=NC2=C1NC=N2)SC)O |
| InChIKey | UATAXLMJXKUHHR-CRCLSJGQSA-N |
Chemical Property Profile of 2-methylthio-N(6)-(N-threonylcarbonyl)adenine
Property Insights of 2-methylthio-N(6)-(N-threonylcarbonyl)adenine
The XLogP value of -0.3 indicates that 2-methylthio-N(6)-(N-threonylcarbonyl)adenine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.0 Ų indicates high polarity, suggesting 2-methylthio-N(6)-(N-threonylcarbonyl)adenine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-methylthio-N(6)-(N-threonylcarbonyl)adenine has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-methylthio-N(6)-(N-threonylcarbonyl)adenine?
The CAS number of 2-methylthio-N(6)-(N-threonylcarbonyl)adenine is 132603-04-4.
What is the molecular formula of 2-methylthio-N(6)-(N-threonylcarbonyl)adenine?
The molecular formula of 2-methylthio-N(6)-(N-threonylcarbonyl)adenine is C11H14N6O4S.
What is the molecular weight of 2-methylthio-N(6)-(N-threonylcarbonyl)adenine?
The molecular weight of 2-methylthio-N(6)-(N-threonylcarbonyl)adenine is 326.0797 g/mol.
Where can I buy 2-methylthio-N(6)-(N-threonylcarbonyl)adenine?
You can request a quote for 2-methylthio-N(6)-(N-threonylcarbonyl)adenine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-methylthio-N(6)-(N-threonylcarbonyl)adenine?
Yes, CoreyChem provides custom synthesis services for 2-methylthio-N(6)-(N-threonylcarbonyl)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.