1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil
TL;DR: 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil (CAS 136632-06-9) is a chemical compound with molecular formula C13H13BrN2O4Se and molecular weight 419.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-(2-hydroxyethoxymethyl)-6-phenylselanylpyrimidine-2,4-dione
Also Known As: 6-(Phenylselenenyl) deriv., 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil, 1-(2-Hydroxyethoxymethyl)-5-bromo-6-phenylselenouracil, 5-bromo-1-(2-hydroxyethoxymethyl)-6-phenylselanylpyrimidine-2,4-dione, 1-<(2-hydroxyethoxy)methyl>-6-(phenylselenenyl)-5-bromouracil
| Molecular Formula | C13H13BrN2O4Se |
|---|---|
| Molecular Weight | 419.92 g/mol |
| LogP | -1.0795 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.9224 |
| Heavy Atoms | 21 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 136632-06-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)[Se]C2=C(C(=O)NC(=O)N2COCCO)Br |
| InChIKey | UINDHULXSACSGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil (CAS 136632-06-9), with molecular formula C13H13BrN2O4Se and molecular weight 419.92 g/mol. IUPAC: 5-bromo-1-(2-hydroxyethoxymethyl)-6-phenylselanylpyrimidine-2,4-dione.
Chemical Property Profile of 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil
Property Insights of 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil
The XLogP value of -1.0795 indicates that 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil. Following Lipinski's Rule of Five, 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil 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-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil?
The CAS number of 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil is 136632-06-9.
What is the molecular formula of 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil?
The molecular formula of 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil is C13H13BrN2O4Se.
What is the molecular weight of 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil?
The molecular weight of 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil is 419.92 g/mol.
Where can I buy 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil?
You can request a quote for 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.