2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine
TL;DR: 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine (CAS 86176-91-2) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-prop-1-enyl]-4-sulfanylidenepyrimidin-2-one
Also Known As: 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine, 1-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-4-mercapto-5-(E)-propenyl-1H-pyrimidin-2-one, 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-prop-1-enyl]-4-sulfanylidenepyrimidin-2-one, 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(E)-prop-1-enyl]-4-sulfanyl-pyrimidin-2-one
| Molecular Formula | C12H16N2O4S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 0.57969 |
| Topological Polar Surface Area | 87.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.08307 |
| Heavy Atoms | 19 |
| Complexity | 592.12756 |
Chemical Identifiers
| CAS Number | 86176-91-2 |
|---|---|
| SMILES | C/C=C/C1=CN(C(=O)NC1=S)[C@H]2C[C@@H]([C@H](O2)CO)O |
Product Overview
2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine (CAS 86176-91-2), with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol. IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-prop-1-enyl]-4-sulfanylidenepyrimidin-2-one.
Chemical Property Profile of 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine
Property Insights of 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine
The XLogP value of 0.57969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine. The TPSA of 87.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine. Following Lipinski's Rule of Five, 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine has 3 hydrogen bond donor(s) and 5 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 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine?
The CAS number of 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine is 86176-91-2.
What is the molecular formula of 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine?
The molecular formula of 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine is C12H16N2O4S.
What is the molecular weight of 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine?
The molecular weight of 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine is 284.08 g/mol.
Where can I buy 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine?
You can request a quote for 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-5-(1-propenyl)-4-thio-(E)uridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.