5'-O-Benzoylthymidine
TL;DR: 5'-O-Benzoylthymidine (CAS 35898-29-4) is a chemical compound with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
Also Known As: 5'-O-Benzoylthymidine, NCI60_006137, ((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl benzoate, 1-(5-O-benzoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione, [3-hydroxy-5-(5-methyl-2,4-dioxo(1,3-dihydropyrimidinyl))oxolan-2-yl]methyl be nzoate
| Molecular Formula | C17H18N2O6 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.1165 |
| Heavy Atoms | 25 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 35898-29-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O |
| InChIKey | NOEPYUJTOCSCJP-UHFFFAOYSA-N |
Product Overview
5'-O-Benzoylthymidine (CAS 35898-29-4), with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol. IUPAC: [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate.
Chemical Property Profile of 5'-O-Benzoylthymidine
Property Insights of 5'-O-Benzoylthymidine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-O-Benzoylthymidine. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-O-Benzoylthymidine. Following Lipinski's Rule of Five, 5'-O-Benzoylthymidine has 2 hydrogen bond donor(s) and 6 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'-O-Benzoylthymidine?
The CAS number of 5'-O-Benzoylthymidine is 35898-29-4.
What is the molecular formula of 5'-O-Benzoylthymidine?
The molecular formula of 5'-O-Benzoylthymidine is C17H18N2O6.
What is the molecular weight of 5'-O-Benzoylthymidine?
The molecular weight of 5'-O-Benzoylthymidine is 346.12 g/mol.
Where can I buy 5'-O-Benzoylthymidine?
You can request a quote for 5'-O-Benzoylthymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-O-Benzoylthymidine?
Yes, KEHONG BIO provides custom synthesis services for 5'-O-Benzoylthymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.