2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate
TL;DR: 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate (CAS 110483-43-7) is a chemical compound with molecular formula C14H17BrN2O7 and molecular weight 404.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-3-acetyloxy-4-bromo-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
Also Known As: 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate, 3',5'-Di-O-acetyl-2'-bromothymidine, 2'-Bromo-2'-deoxy-3',5'-di-O-acetyl-5-methyluridine, 2'-bromo-3',5'-diacetyl-5-methyluridine, 2-Bromo-2-deoxy-5-methyluridine-3,5-diacetate
| Molecular Formula | C14H17BrN2O7 |
|---|---|
| Molecular Weight | 404.02 g/mol |
| LogP | 0.00072 |
| Topological Polar Surface Area | 116.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.0219 |
| Heavy Atoms | 24 |
| Complexity | 756.2252 |
Chemical Identifiers
| CAS Number | 110483-43-7 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)Br |
Product Overview
2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate (CAS 110483-43-7), with molecular formula C14H17BrN2O7 and molecular weight 404.02 g/mol. IUPAC: [(2R,3R,4R,5R)-3-acetyloxy-4-bromo-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate
Property Insights of 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate
The XLogP value of 0.00072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate. The TPSA of 116.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate. Following Lipinski's Rule of Five, 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate 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 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate?
The CAS number of 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate is 110483-43-7.
What is the molecular formula of 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate?
The molecular formula of 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate is C14H17BrN2O7.
What is the molecular weight of 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate?
The molecular weight of 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate is 404.02 g/mol.
Where can I buy 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate?
You can request a quote for 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2'-Bromo-2'-deoxy-5-methyluridine 3',5'-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.