4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone
TL;DR: 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone (CAS 478080-87-4) is a chemical compound with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)sulfonyl-2-phenyl-4-piperidin-1-ylpyrimidine
Also Known As: Bionet1_003476, 8N-576S, 4-methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone, 5-(4-methylphenyl)sulfonyl-2-phenyl-4-piperidin-1-ylpyrimidine, 5-(4-methylbenzenesulfonyl)-2-phenyl-4-(piperidin-1-yl)pyrimidine
| Molecular Formula | C22H23N3O2S |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 4.27512 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.1511 |
| Heavy Atoms | 28 |
| Complexity | 1058.6958 |
Chemical Identifiers
| CAS Number | 478080-87-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N3CCCCC3)C4=CC=CC=C4 |
Product Overview
4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone (CAS 478080-87-4), with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol. IUPAC: 5-(4-methylphenyl)sulfonyl-2-phenyl-4-piperidin-1-ylpyrimidine.
Chemical Property Profile of 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone
Property Insights of 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone
The XLogP value of 4.27512 indicates that 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone. Following Lipinski's Rule of Five, 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone has 0 hydrogen bond donor(s) and 5 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 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone?
The CAS number of 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone is 478080-87-4.
What is the molecular formula of 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone?
The molecular formula of 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone is C22H23N3O2S.
What is the molecular weight of 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone?
The molecular weight of 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone is 393.15 g/mol.
Where can I buy 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone?
You can request a quote for 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 2-phenyl-4-piperidino-5-pyrimidinyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.