5-Bromo-2-chloropyrimidine
TL;DR: 5-Bromo-2-chloropyrimidine (CAS 69034-12-4) is a chemical compound with molecular formula C4H2BrClN2 and molecular weight 191.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-chloropyrimidine
Also Known As: 5-Bromo-2-chloropyrimidine, 2-Chloro-5-bromopyrimidine, 5-bromo-2-chloro-pyrimidine, null, Macitentan Impurity 2
| Molecular Formula | C4H2BrClN2 |
|---|---|
| Molecular Weight | 191.91 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.909 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 69034-12-4 |
|---|---|
| SMILES | C1=C(C=NC(=N1)Cl)Br |
| InChIKey | XPGIBDJXEVAVTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-2-chloropyrimidine (CAS 69034-12-4), with molecular formula C4H2BrClN2 and molecular weight 191.91 g/mol. IUPAC: 5-bromo-2-chloropyrimidine.
Chemical Property Profile of 5-Bromo-2-chloropyrimidine
Property Insights of 5-Bromo-2-chloropyrimidine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-chloropyrimidine. With a topological polar surface area (TPSA) of 25.8 Ų, 5-Bromo-2-chloropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-chloropyrimidine has 0 hydrogen bond donor(s) and 2 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 5-Bromo-2-chloropyrimidine?
The CAS number of 5-Bromo-2-chloropyrimidine is 69034-12-4.
What is the molecular formula of 5-Bromo-2-chloropyrimidine?
The molecular formula of 5-Bromo-2-chloropyrimidine is C4H2BrClN2.
What is the molecular weight of 5-Bromo-2-chloropyrimidine?
The molecular weight of 5-Bromo-2-chloropyrimidine is 191.91 g/mol.
Where can I buy 5-Bromo-2-chloropyrimidine?
You can request a quote for 5-Bromo-2-chloropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-chloropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-chloropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.