5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine
TL;DR: 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine (CAS 100244-26-6) is a chemical compound with molecular formula C11H15F2N3O6 and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,2-difluoro-2-methoxyethyl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Also Known As: 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine, 6-(2,2-difluoro-2-methoxyethyl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione, 1,2,4-Triazine-3,5(2H,4H)-dione,2-(2-deoxy-b-D-erythro-pentofuranosyl)-6-(2,2-difluoro-2-methoxyethyl)-, 1,2,4-Triazine-3,5(2H,4H)-dione, 2-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-(2,2-difluoro-2-methoxyethyl)-, 1,2,4-Triazine-3,5(2H,4H)-dione,2-(2-deoxy-b-D-erythro-pentofuranosyl)-6-(2,2-difluoro-2-methoxyethyl)
| Molecular Formula | C11H15F2N3O6 |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0929 |
| Heavy Atoms | 22 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 100244-26-6 |
|---|---|
| SMILES | COC(CC1=NN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)(F)F |
| InChIKey | AOZKTLVSDRBXSH-XLPZGREQSA-N |
Product Overview
5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine (CAS 100244-26-6), with molecular formula C11H15F2N3O6 and molecular weight 323.09 g/mol. IUPAC: 6-(2,2-difluoro-2-methoxyethyl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine
Property Insights of 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine
The XLogP value of -0.7 indicates that 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine. Following Lipinski's Rule of Five, 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine has 3 hydrogen bond donor(s) and 9 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-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine?
The CAS number of 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine is 100244-26-6.
What is the molecular formula of 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine?
The molecular formula of 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine is C11H15F2N3O6.
What is the molecular weight of 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine?
The molecular weight of 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine is 323.09 g/mol.
Where can I buy 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine?
You can request a quote for 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-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-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,2-Difluoro-2-methoxyethyl)-6-aza-2'-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.