2-(Allylthio)-4-(4-bromophenyl)pyrimidine
TL;DR: 2-(Allylthio)-4-(4-bromophenyl)pyrimidine (CAS 370075-65-3) is a chemical compound with molecular formula C13H11BrN2S and molecular weight 305.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-2-prop-2-enylsulfanylpyrimidine
Also Known As: 2-(allylthio)-4-(4-bromophenyl)pyrimidine, 4-(4-bromophenyl)-2-prop-2-enylsulfanylpyrimidine
| Molecular Formula | C13H11BrN2S |
|---|---|
| Molecular Weight | 305.98 g/mol |
| LogP | 4.1842 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.98264 |
| Heavy Atoms | 17 |
| Complexity | 511.08286 |
Chemical Identifiers
| CAS Number | 370075-65-3 |
|---|---|
| SMILES | C=CCSC1=NC=CC(=N1)C2=CC=C(C=C2)Br |
Product Overview
2-(Allylthio)-4-(4-bromophenyl)pyrimidine (CAS 370075-65-3), with molecular formula C13H11BrN2S and molecular weight 305.98 g/mol. IUPAC: 4-(4-bromophenyl)-2-prop-2-enylsulfanylpyrimidine.
Chemical Property Profile of 2-(Allylthio)-4-(4-bromophenyl)pyrimidine
Property Insights of 2-(Allylthio)-4-(4-bromophenyl)pyrimidine
The XLogP value of 4.1842 indicates that 2-(Allylthio)-4-(4-bromophenyl)pyrimidine 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-(Allylthio)-4-(4-bromophenyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Allylthio)-4-(4-bromophenyl)pyrimidine 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-(Allylthio)-4-(4-bromophenyl)pyrimidine?
The CAS number of 2-(Allylthio)-4-(4-bromophenyl)pyrimidine is 370075-65-3.
What is the molecular formula of 2-(Allylthio)-4-(4-bromophenyl)pyrimidine?
The molecular formula of 2-(Allylthio)-4-(4-bromophenyl)pyrimidine is C13H11BrN2S.
What is the molecular weight of 2-(Allylthio)-4-(4-bromophenyl)pyrimidine?
The molecular weight of 2-(Allylthio)-4-(4-bromophenyl)pyrimidine is 305.98 g/mol.
Where can I buy 2-(Allylthio)-4-(4-bromophenyl)pyrimidine?
You can request a quote for 2-(Allylthio)-4-(4-bromophenyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Allylthio)-4-(4-bromophenyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylthio)-4-(4-bromophenyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.