5-(cyanomethyl)-2'-deoxyuridine
TL;DR: 5-(cyanomethyl)-2'-deoxyuridine (CAS 63202-12-0) is a chemical compound with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetonitrile
Also Known As: 5-(cyanomethyl)-2'-deoxyuridine, [1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-acetonitrile, 2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetonitrile, 2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]acetonitrile
| Molecular Formula | C11H13N3O5 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | -1.75662 |
| Topological Polar Surface Area | 128.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.0855 |
| Heavy Atoms | 19 |
| Complexity | 613.9823 |
Chemical Identifiers
| CAS Number | 63202-12-0 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CC#N)CO)O |
Product Overview
5-(cyanomethyl)-2'-deoxyuridine (CAS 63202-12-0), with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol. IUPAC: 2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetonitrile.
Chemical Property Profile of 5-(cyanomethyl)-2'-deoxyuridine
Property Insights of 5-(cyanomethyl)-2'-deoxyuridine
The XLogP value of -1.75662 indicates that 5-(cyanomethyl)-2'-deoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(cyanomethyl)-2'-deoxyuridine. Following Lipinski's Rule of Five, 5-(cyanomethyl)-2'-deoxyuridine has 3 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-(cyanomethyl)-2'-deoxyuridine?
The CAS number of 5-(cyanomethyl)-2'-deoxyuridine is 63202-12-0.
What is the molecular formula of 5-(cyanomethyl)-2'-deoxyuridine?
The molecular formula of 5-(cyanomethyl)-2'-deoxyuridine is C11H13N3O5.
What is the molecular weight of 5-(cyanomethyl)-2'-deoxyuridine?
The molecular weight of 5-(cyanomethyl)-2'-deoxyuridine is 267.09 g/mol.
Where can I buy 5-(cyanomethyl)-2'-deoxyuridine?
You can request a quote for 5-(cyanomethyl)-2'-deoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(cyanomethyl)-2'-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 5-(cyanomethyl)-2'-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.