1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone
TL;DR: 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone (CAS 96245-87-3) is a chemical compound with molecular formula C9H11BrN2O4 and molecular weight 289.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: BrPdR, 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone, 5-bromo-1-(2-deoxy-d-erythro-pentofuranosyl)pyrimidin-2(1h)-one, 5-Bromo-1-(2-deoxypentofuranosyl)pyrimidin-2(1H)-one, 5-bromo-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
| Molecular Formula | C9H11BrN2O4 |
|---|---|
| Molecular Weight | 289.99 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.99023 |
| Heavy Atoms | 16 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 96245-87-3 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC1N2C=C(C=NC2=O)Br)CO)O |
| InChIKey | ZVJGRUIFYOSAMF-KJFJCRTCSA-N |
Product Overview
1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone (CAS 96245-87-3), with molecular formula C9H11BrN2O4 and molecular weight 289.99 g/mol. IUPAC: 5-bromo-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone
Property Insights of 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone
The XLogP value of -0.3 indicates that 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone. Following Lipinski's Rule of Five, 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone has 2 hydrogen bond donor(s) and 4 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 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone?
The CAS number of 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone is 96245-87-3.
What is the molecular formula of 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone?
The molecular formula of 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone is C9H11BrN2O4.
What is the molecular weight of 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone?
The molecular weight of 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone is 289.99 g/mol.
Where can I buy 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone?
You can request a quote for 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Deoxy-beta-ribofuranosyl)-5-bromo-2-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.