(E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine
TL;DR: (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine (CAS 100348-19-4) is a chemical compound with molecular formula C11H15N3O5S and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(E)-2-methylsulfanylethenyl]-1,2,4-triazine-3,5-dione
Also Known As: (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine, (E)-5-[2-(Methylthio)vinyl]-6-aza-2'-deoxyuridine, 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(E)-2-methylsulfanylethenyl]-1,2,4-triazine-3,5-dione, 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-[(E)-2-methylsulfanylvinyl]-1,2,4-triazine-3,5-dione
| Molecular Formula | C11H15N3O5S |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | -1.094 |
| Topological Polar Surface Area | 117.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.07324 |
| Heavy Atoms | 20 |
| Complexity | 610.8115 |
Chemical Identifiers
| CAS Number | 100348-19-4 |
|---|---|
| SMILES | CS/C=C/C1=NN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O |
Product Overview
(E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine (CAS 100348-19-4), with molecular formula C11H15N3O5S and molecular weight 301.07 g/mol. IUPAC: 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(E)-2-methylsulfanylethenyl]-1,2,4-triazine-3,5-dione.
Chemical Property Profile of (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine
Property Insights of (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine
The XLogP value of -1.094 indicates that (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine. Following Lipinski's Rule of Five, (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine 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 (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine?
The CAS number of (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine is 100348-19-4.
What is the molecular formula of (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine?
The molecular formula of (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine is C11H15N3O5S.
What is the molecular weight of (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine?
The molecular weight of (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine is 301.07 g/mol.
Where can I buy (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine?
You can request a quote for (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.