5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine
TL;DR: 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine (CAS 5440-62-0) is a chemical compound with molecular formula C12H19BrN2O6 and molecular weight 366.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-6-ethoxy-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
Also Known As: BDERT, 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine, 5-bromo-6-ethoxy-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione, Thymidine, 5-bromo-6-ethoxy-5,6-dihydro-, (5R,6R)-, 5-bromo-1-(2-deoxypentofuranosyl)-6-ethoxy-5-methyldihydropyrimidine-2,4(1h,3h)-dione
| Molecular Formula | C12H19BrN2O6 |
|---|---|
| Molecular Weight | 366.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.04266 |
| Heavy Atoms | 21 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 5440-62-0 |
|---|---|
| SMILES | CCOC1C(C(=O)NC(=O)N1C2CC(C(O2)CO)O)(C)Br |
| InChIKey | BMLVQJNITGJOAB-UHFFFAOYSA-N |
Product Overview
5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine (CAS 5440-62-0), with molecular formula C12H19BrN2O6 and molecular weight 366.04 g/mol. IUPAC: 5-bromo-6-ethoxy-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione.
Chemical Property Profile of 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine
Property Insights of 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine. Following Lipinski's Rule of Five, 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine has 3 hydrogen bond donor(s) and 6 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-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine?
The CAS number of 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine is 5440-62-0.
What is the molecular formula of 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine?
The molecular formula of 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine is C12H19BrN2O6.
What is the molecular weight of 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine?
The molecular weight of 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine is 366.04 g/mol.
Where can I buy 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine?
You can request a quote for 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.