6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
TL;DR: 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine (CAS 137897-69-9) is a chemical compound with molecular formula C14H15BrN2O4S and molecular weight 385.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-bromophenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Also Known As: HEPT deriv., 3'-BrHEPT, 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine, 6-(3-bromophenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methyl-pyrimidine-2,4-dione, 6-(3-Bromophenylthio)-1-(2-hydroxyethoxymethyl)thymine
| Molecular Formula | C14H15BrN2O4S |
|---|---|
| Molecular Weight | 385.99 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.9936 |
| Heavy Atoms | 22 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 137897-69-9 |
|---|---|
| SMILES | CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC(=CC=C2)Br |
| InChIKey | FAQXXPPCZGCMKU-UHFFFAOYSA-N |
Product Overview
6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine (CAS 137897-69-9), with molecular formula C14H15BrN2O4S and molecular weight 385.99 g/mol. IUPAC: 6-(3-bromophenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
Property Insights of 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine. Following Lipinski's Rule of Five, 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine has 2 hydrogen bond donor(s) and 5 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 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The CAS number of 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is 137897-69-9.
What is the molecular formula of 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The molecular formula of 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is C14H15BrN2O4S.
What is the molecular weight of 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The molecular weight of 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is 385.99 g/mol.
Where can I buy 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
You can request a quote for 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for 6-((3-Bromophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.