3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine
TL;DR: 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine (CAS 6161-23-5) is a chemical compound with molecular formula C13H15BrN2O7 and molecular weight 390.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-acetyloxy-5-(5-bromo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
Also Known As: 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine, 3',5'-DI-O-ACETYL-5-BROMO-2'-DEOXY-D-URIDINE, 3',5'-Di-O-acetyl-5-bromo-2'-deoxyuridine, 5-Bromo-2'-deoxy-uridine 3',5'-Diacetate, ((2R,3S,5R)-3-Acetoxy-5-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl acetate
| Molecular Formula | C13H15BrN2O7 |
|---|---|
| Molecular Weight | 390.01 g/mol |
| LogP | 0.0814 |
| Topological Polar Surface Area | 116.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.00626 |
| Heavy Atoms | 23 |
| Complexity | 725.7686 |
Chemical Identifiers
| CAS Number | 6161-23-5 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)Br)OC(=O)C |
Product Overview
3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine (CAS 6161-23-5), with molecular formula C13H15BrN2O7 and molecular weight 390.01 g/mol. IUPAC: [(2R,3S,5R)-3-acetyloxy-5-(5-bromo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine
Property Insights of 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine
The XLogP value of 0.0814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine. The TPSA of 116.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine. Following Lipinski's Rule of Five, 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine has 1 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 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine?
The CAS number of 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine is 6161-23-5.
What is the molecular formula of 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine?
The molecular formula of 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine is C13H15BrN2O7.
What is the molecular weight of 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine?
The molecular weight of 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine is 390.01 g/mol.
Where can I buy 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine?
You can request a quote for 3', 5'-Di-O-acetyl-5-bromo-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'-Di-O-acetyl-5-bromo-2'-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 3', 5'-Di-O-acetyl-5-bromo-2'-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.