3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine
TL;DR: 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine (CAS 3415-70-1) is a chemical compound with molecular formula C25H39FN2O7 and molecular weight 498.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-octanoyloxyoxolan-2-yl]methyl octanoate
Also Known As: Fdurd-C8, Fdurd-C-8, 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine, 5-Fluoro-2'-deoxy-O',O'-dioctanoyluridine, 2'-Deoxy-5-fluorouridine 3',5'-dioctanoate
| Molecular Formula | C25H39FN2O7 |
|---|---|
| Molecular Weight | 498.27 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 498.27414 |
| Heavy Atoms | 35 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 3415-70-1 |
|---|---|
| SMILES | CCCCCCCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)OC(=O)CCCCCCC |
| InChIKey | MHHHJDVJXRSMRN-PWRODBHTSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine (CAS 3415-70-1), with molecular formula C25H39FN2O7 and molecular weight 498.27 g/mol. IUPAC: [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-octanoyloxyoxolan-2-yl]methyl octanoate.
Chemical Property Profile of 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine
Property Insights of 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine
The XLogP value of 5.4 indicates that 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine 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 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine. Following Lipinski's Rule of Five, 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine?
The CAS number of 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine is 3415-70-1.
What is the molecular formula of 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine?
The molecular formula of 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine is C25H39FN2O7.
What is the molecular weight of 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine?
The molecular weight of 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine is 498.27 g/mol.
Where can I buy 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine?
You can request a quote for 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 3',5'-Dioctanoyl-5-fluoro-2'-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.