![2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine structure](/static/products/875/875528-92-0.png)
2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine
TL;DR: 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine (CAS 875528-92-0) is a chemical compound with molecular formula C12H9BrN2O2S and molecular weight 323.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine
Also Known As: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine, 2-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyrimidine
| Molecular Formula | C12H9BrN2O2S |
|---|---|
| Molecular Weight | 323.96 g/mol |
| LogP | 3.2601 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.95682 |
| Heavy Atoms | 18 |
| Complexity | 565.5039 |
Chemical Identifiers
| CAS Number | 875528-92-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CSC3=NC=CC=N3)Br |
Product Overview
2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine (CAS 875528-92-0), with molecular formula C12H9BrN2O2S and molecular weight 323.96 g/mol. IUPAC: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine.
Chemical Property Profile of 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine
Property Insights of 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine
The XLogP value of 3.2601 indicates that 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine has 0 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 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine?
The CAS number of 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine is 875528-92-0.
What is the molecular formula of 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine?
The molecular formula of 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine is C12H9BrN2O2S.
What is the molecular weight of 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine?
The molecular weight of 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine is 323.96 g/mol.
Where can I buy 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine?
You can request a quote for 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.