2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
TL;DR: 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine (CAS 385390-91-0) is a chemical compound with molecular formula C9H12ClFN4 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
Also Known As: 2-chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine, BAS 03566673, AN-988/14770033, 2-chloro-5-fluoro-4-(4-methylpiperazino)pyrimidine, 2-chloro-5-fluoro-4-(4-methylpiperazinyl)pyrimidine
| Molecular Formula | C9H12ClFN4 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 1.0209 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.07346 |
| Heavy Atoms | 15 |
| Complexity | 351.96564 |
Chemical Identifiers
| CAS Number | 385390-91-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC(=NC=C2F)Cl |
Product Overview
2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine (CAS 385390-91-0), with molecular formula C9H12ClFN4 and molecular weight 230.07 g/mol. IUPAC: 2-chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine.
Chemical Property Profile of 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
Property Insights of 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
The XLogP value of 1.0209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine. With a topological polar surface area (TPSA) of 32.26 Ų, 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine has 0 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-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine?
The CAS number of 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine is 385390-91-0.
What is the molecular formula of 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine?
The molecular formula of 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine is C9H12ClFN4.
What is the molecular weight of 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine?
The molecular weight of 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine is 230.07 g/mol.
Where can I buy 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine?
You can request a quote for 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.