![2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine structure](/static/products/5226/522651-17-8.webp)
2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine
TL;DR: 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine (CAS 522651-17-8) is a chemical compound with molecular formula C13H13BrN2S and molecular weight 308.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyrimidine
Also Known As: 2-[(3-bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine, 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyrimidine, 2-[(3-bromophenyl)methylthio]-4,6-dimethylpyrimidine, 2-{[(3-BROMOPHENYL)METHYL]SULFANYL}-4,6-DIMETHYLPYRIMIDINE
| Molecular Formula | C13H13BrN2S |
|---|---|
| Molecular Weight | 308.00 g/mol |
| LogP | 4.14824 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.9983 |
| Heavy Atoms | 17 |
| Complexity | 508.32794 |
Chemical Identifiers
| CAS Number | 522651-17-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=CC(=CC=C2)Br)C |
Product Overview
2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine (CAS 522651-17-8), with molecular formula C13H13BrN2S and molecular weight 308.00 g/mol. IUPAC: 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyrimidine.
Chemical Property Profile of 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine
Property Insights of 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine
The XLogP value of 4.14824 indicates that 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine has 0 hydrogen bond donor(s) and 3 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 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine?
The CAS number of 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine is 522651-17-8.
What is the molecular formula of 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine?
The molecular formula of 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine is C13H13BrN2S.
What is the molecular weight of 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine?
The molecular weight of 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine is 308.00 g/mol.
Where can I buy 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine?
You can request a quote for 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.