2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate)
TL;DR: 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate) (CAS 7585-89-9) is a chemical compound with molecular formula C25H23FN2O7 and molecular weight 482.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
Also Known As: 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate), [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate, 1-[2-Deoxy-3,5-bis-O-(4-methylbenzoyl)pentofuranosyl]-5-fluoropyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C25H23FN2O7 |
|---|---|
| Molecular Weight | 482.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.14893 |
| Heavy Atoms | 35 |
| Complexity | 862.0 |
Chemical Identifiers
| CAS Number | 7585-89-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)F)OC(=O)C4=CC=C(C=C4)C |
| InChIKey | RSJDZJWFIZRPDJ-UHFFFAOYSA-N |
Product Overview
2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate) (CAS 7585-89-9), with molecular formula C25H23FN2O7 and molecular weight 482.15 g/mol. IUPAC: [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate.
Chemical Property Profile of 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate)
Property Insights of 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate)
The XLogP value of 3.5 indicates that 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate). Following Lipinski's Rule of Five, 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate) has 1 hydrogen bond donor(s) and 8 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-fluorouridine 3',5'-bis(4-methylbenzoate)?
The CAS number of 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate) is 7585-89-9.
What is the molecular formula of 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate)?
The molecular formula of 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate) is C25H23FN2O7.
What is the molecular weight of 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate)?
The molecular weight of 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate) is 482.15 g/mol.
Where can I buy 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate)?
You can request a quote for 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate) 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-fluorouridine 3',5'-bis(4-methylbenzoate)?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-5-fluorouridine 3',5'-bis(4-methylbenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.