(E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine
TL;DR: (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine (CAS 86163-29-3) is a chemical compound with molecular formula C15H18N2O7 and molecular weight 338.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E,4E)-5-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]penta-2,4-dienoate
Also Known As: (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine, (2E,4E)-5-[4-Hydroxy-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2-oxo-1,2-dihydro-pyrimidin-5-yl]-penta-2,4-dienoic acid, methyl ester, methyl (2E,4E)-5-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]penta-2,4-dienoate, methyl (2E,4E)-5-[4-hydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-5-yl]penta-2,4-dienoate
| Molecular Formula | C15H18N2O7 |
|---|---|
| Molecular Weight | 338.11 g/mol |
| LogP | -1.0803 |
| Topological Polar Surface Area | 130.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.1114 |
| Heavy Atoms | 24 |
| Complexity | 761.8215 |
Chemical Identifiers
| CAS Number | 86163-29-3 |
|---|---|
| SMILES | COC(=O)/C=C/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O |
Product Overview
(E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine (CAS 86163-29-3), with molecular formula C15H18N2O7 and molecular weight 338.11 g/mol. IUPAC: methyl (2E,4E)-5-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]penta-2,4-dienoate.
Chemical Property Profile of (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine
Property Insights of (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine
The XLogP value of -1.0803 indicates that (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine. Following Lipinski's Rule of Five, (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine has 3 hydrogen bond donor(s) and 7 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 (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine?
The CAS number of (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine is 86163-29-3.
What is the molecular formula of (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine?
The molecular formula of (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine is C15H18N2O7.
What is the molecular weight of (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine?
The molecular weight of (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine is 338.11 g/mol.
Where can I buy (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine?
You can request a quote for (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for (E,E)-5-(4-carbomethoxy-1,3-butadienyl)-2'-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.