4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone
TL;DR: 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone (CAS 866133-99-5) is a chemical compound with molecular formula C12H11ClN2O2S and molecular weight 282.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfonyl]-4-methylpyrimidine
Also Known As: Bionet2_001180, 4-chlorobenzyl 4-methyl-2-pyrimidinyl sulfone, 2-[(4-chlorophenyl)methanesulfonyl]-4-methylpyrimidine, 2-[(4-chlorophenyl)methylsulfonyl]-4-methylpyrimidine, 7W-0823
| Molecular Formula | C12H11ClN2O2S |
|---|---|
| Molecular Weight | 282.02 g/mol |
| LogP | 2.41232 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.02298 |
| Heavy Atoms | 18 |
| Complexity | 654.03253 |
Chemical Identifiers
| CAS Number | 866133-99-5 |
|---|---|
| SMILES | CC1=NC(=NC=C1)S(=O)(=O)CC2=CC=C(C=C2)Cl |
Product Overview
4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone (CAS 866133-99-5), with molecular formula C12H11ClN2O2S and molecular weight 282.02 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfonyl]-4-methylpyrimidine.
Chemical Property Profile of 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone
Property Insights of 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone
The XLogP value of 2.41232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone. With a topological polar surface area (TPSA) of 59.92 Ų, 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone 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 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone?
The CAS number of 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone is 866133-99-5.
What is the molecular formula of 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone?
The molecular formula of 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone is C12H11ClN2O2S.
What is the molecular weight of 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone?
The molecular weight of 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone is 282.02 g/mol.
Where can I buy 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone?
You can request a quote for 4-Chlorobenzyl 4-methyl-2-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-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.