5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
TL;DR: 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine (CAS 478080-99-8) is a chemical compound with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
Also Known As: Bionet1_003480, 8N-596S, 5-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine, 4-(4-methylpiperazino)-2-phenyl-5-(phenylsulfonyl)pyrimidine
| Molecular Formula | C21H22N4O2S |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 2.7282 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.14636 |
| Heavy Atoms | 28 |
| Complexity | 1048.2784 |
Chemical Identifiers
| CAS Number | 478080-99-8 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC(=NC=C2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine (CAS 478080-99-8), with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol. IUPAC: 5-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine.
Chemical Property Profile of 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
Property Insights of 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
The XLogP value of 2.7282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine. Following Lipinski's Rule of Five, 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine has 0 hydrogen bond donor(s) and 6 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-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
The CAS number of 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine is 478080-99-8.
What is the molecular formula of 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
The molecular formula of 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine is C21H22N4O2S.
What is the molecular weight of 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
The molecular weight of 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine is 394.15 g/mol.
Where can I buy 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
You can request a quote for 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.