3-Deaza-4-deoxyuridine
TL;DR: 3-Deaza-4-deoxyuridine (CAS 5116-37-0) is a chemical compound with molecular formula C10H13NO5 and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-2-one
Also Known As: 3-Deaza-4-deoxyuridine, 4-Deoxy-3-deazauridine, 1-(Ribofuranosyl)-pyrid-2-on, 1-Pentofuranosylpyridin-2(1H)-one, 2(1H)-Pyridinone, 1-beta-D-ribofuranosyl-
| Molecular Formula | C10H13NO5 |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | -1.5402 |
| Topological Polar Surface Area | 91.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.07938 |
| Heavy Atoms | 16 |
| Complexity | 417.67047 |
Chemical Identifiers
| CAS Number | 5116-37-0 |
|---|---|
| SMILES | C1=CC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O |
Product Overview
3-Deaza-4-deoxyuridine (CAS 5116-37-0), with molecular formula C10H13NO5 and molecular weight 227.08 g/mol. IUPAC: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-2-one.
Chemical Property Profile of 3-Deaza-4-deoxyuridine
Property Insights of 3-Deaza-4-deoxyuridine
The XLogP value of -1.5402 indicates that 3-Deaza-4-deoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Deaza-4-deoxyuridine. Following Lipinski's Rule of Five, 3-Deaza-4-deoxyuridine has 3 hydrogen bond donor(s) and 5 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 3-Deaza-4-deoxyuridine?
The CAS number of 3-Deaza-4-deoxyuridine is 5116-37-0.
What is the molecular formula of 3-Deaza-4-deoxyuridine?
The molecular formula of 3-Deaza-4-deoxyuridine is C10H13NO5.
What is the molecular weight of 3-Deaza-4-deoxyuridine?
The molecular weight of 3-Deaza-4-deoxyuridine is 227.08 g/mol.
Where can I buy 3-Deaza-4-deoxyuridine?
You can request a quote for 3-Deaza-4-deoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Deaza-4-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 3-Deaza-4-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.