2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine
TL;DR: 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine (CAS 166751-70-8) is a chemical compound with molecular formula C11H9BrClN3S and molecular weight 328.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromophenyl)methylsulfanyl]-6-chloropyrimidin-4-amine
Also Known As: Pyrimidine analog, J1.016.766C, 2-(3-Bromobenzylthio)-6-chloropyrimidine-4-amine, 4-Pyrimidinamine, 2-[[(3-bromophenyl)methyl]thio]-6-chloro-, 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine
| Molecular Formula | C11H9BrClN3S |
|---|---|
| Molecular Weight | 328.94 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.9389 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 166751-70-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)CSC2=NC(=CC(=N2)Cl)N |
| InChIKey | YHTIGIWCSZNCTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine (CAS 166751-70-8), with molecular formula C11H9BrClN3S and molecular weight 328.94 g/mol. IUPAC: 2-[(3-bromophenyl)methylsulfanyl]-6-chloropyrimidin-4-amine.
Chemical Property Profile of 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine
Property Insights of 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine
The XLogP value of 3.8 indicates that 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine. Following Lipinski's Rule of Five, 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine has 1 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 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine?
The CAS number of 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine is 166751-70-8.
What is the molecular formula of 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine?
The molecular formula of 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine is C11H9BrClN3S.
What is the molecular weight of 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine?
The molecular weight of 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine is 328.94 g/mol.
Where can I buy 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine?
You can request a quote for 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.