5'C-CH3COCH2-3',4'-didehydro-dT
TL;DR: 5'C-CH3COCH2-3',4'-didehydro-dT (CAS 131118-72-4) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R)-5-(1-hydroxy-3-oxobutyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 5'C-CH3COCH2-3',4'-didehydro-dT, 1-[(2R)-5-(1-hydroxy-3-oxo-butyl)-2,3-dihydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione, 1-[(2R)-5-(1-hydroxy-3-oxobutyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione, 4-Hydroxy-1-[5-(1-hydroxy-3-oxobutyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2(1H)-one, 1-(1,4-Anhydro-2,3,6,8-tetradeoxy-.beta.-D-and .alpha.-L-glycero-oct-3-en-7-ulosyl)thymine
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 131118-72-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2CC=C(O2)C(CC(=O)C)O |
| InChIKey | RGAOIVLKDSEDDL-HCCKASOXSA-N |
Product Overview
5'C-CH3COCH2-3',4'-didehydro-dT (CAS 131118-72-4), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: 1-[(2R)-5-(1-hydroxy-3-oxobutyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 5'C-CH3COCH2-3',4'-didehydro-dT
Property Insights of 5'C-CH3COCH2-3',4'-didehydro-dT
The XLogP value of -0.9 indicates that 5'C-CH3COCH2-3',4'-didehydro-dT is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'C-CH3COCH2-3',4'-didehydro-dT. Following Lipinski's Rule of Five, 5'C-CH3COCH2-3',4'-didehydro-dT has 2 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 5'C-CH3COCH2-3',4'-didehydro-dT?
The CAS number of 5'C-CH3COCH2-3',4'-didehydro-dT is 131118-72-4.
What is the molecular formula of 5'C-CH3COCH2-3',4'-didehydro-dT?
The molecular formula of 5'C-CH3COCH2-3',4'-didehydro-dT is C13H16N2O5.
What is the molecular weight of 5'C-CH3COCH2-3',4'-didehydro-dT?
The molecular weight of 5'C-CH3COCH2-3',4'-didehydro-dT is 280.11 g/mol.
Where can I buy 5'C-CH3COCH2-3',4'-didehydro-dT?
You can request a quote for 5'C-CH3COCH2-3',4'-didehydro-dT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'C-CH3COCH2-3',4'-didehydro-dT?
Yes, KEHONG BIO provides custom synthesis services for 5'C-CH3COCH2-3',4'-didehydro-dT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.