5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil
TL;DR: 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil (CAS 125310-70-5) is a chemical compound with molecular formula C14H21BrN2O7 and molecular weight 408.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,6R)-1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-bromo-6-ethoxy-1,3-diazinane-2,4-dione
Also Known As: BEIRU, 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil, (5R,6R)-5-Bromo-6-ethoxy-5,6-dihydro-2',3'-O-(1-methylethylidene)uridine, (5R,6R)-1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-bromo-6-ethoxy-1,3-diazinane-2,4-dione, 5-Bromo-6-ethoxy-2',3'-O-(1-methylethylidene)-3,4,5,6-tetrahydrouridine
| Molecular Formula | C14H21BrN2O7 |
|---|---|
| Molecular Weight | 408.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.05322 |
| Heavy Atoms | 24 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 125310-70-5 |
|---|---|
| SMILES | CCO[C@@H]1[C@H](C(=O)NC(=O)N1[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OC(O3)(C)C)Br |
| InChIKey | PZYPMQOBWKFYHF-PWWDDMIZSA-N |
Product Overview
5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil (CAS 125310-70-5), with molecular formula C14H21BrN2O7 and molecular weight 408.05 g/mol. IUPAC: (5R,6R)-1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-bromo-6-ethoxy-1,3-diazinane-2,4-dione.
Chemical Property Profile of 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil
Property Insights of 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil
The XLogP value of -0.2 indicates that 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil. Following Lipinski's Rule of Five, 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil has 2 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 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil?
The CAS number of 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil is 125310-70-5.
What is the molecular formula of 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil?
The molecular formula of 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil is C14H21BrN2O7.
What is the molecular weight of 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil?
The molecular weight of 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil is 408.05 g/mol.
Where can I buy 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil?
You can request a quote for 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-6-ethoxy-5,6-dihydro-2',3'-isopropylidine-beta-ribofuranosyluracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.