4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone
TL;DR: 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone (CAS 478080-71-6) is a chemical compound with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfonyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine
Also Known As: 8N-305S, 4-methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone, 4-(4-methylbenzenesulfonyl)-2-phenyl-6-(pyrrolidin-1-yl)pyrimidine, 4-(4-methylphenyl)sulfonyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine
| Molecular Formula | C21H21N3O2S |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 3.88502 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.13544 |
| Heavy Atoms | 27 |
| Complexity | 1042.5447 |
Chemical Identifiers
| CAS Number | 478080-71-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=NC(=NC(=C2)N3CCCC3)C4=CC=CC=C4 |
Product Overview
4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone (CAS 478080-71-6), with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol. IUPAC: 4-(4-methylphenyl)sulfonyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine.
Chemical Property Profile of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone
Property Insights of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone
The XLogP value of 3.88502 indicates that 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-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-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone. Following Lipinski's Rule of Five, 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-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-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone?
The CAS number of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone is 478080-71-6.
What is the molecular formula of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone?
The molecular formula of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone is C21H21N3O2S.
What is the molecular weight of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone?
The molecular weight of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone is 379.14 g/mol.
Where can I buy 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone?
You can request a quote for 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-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-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.