![2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine structure](/static/products/866/866153-35-7.png)
2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine
TL;DR: 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine (CAS 866153-35-7) is a chemical compound with molecular formula C21H26N2O2S2 and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-1-(4-tert-butylphenyl)sulfonyl-5,6-dihydro-4H-pyrimidine
Also Known As: 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine, 2-benzylsulfanyl-1-(4-tert-butylphenyl)sulfonyl-5,6-dihydro-4H-pyrimidine, 2-(benzylsulfanyl)-1-(4-tert-butylbenzenesulfonyl)-1,4,5,6-tetrahydropyrimidine
| Molecular Formula | C21H26N2O2S2 |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 4.6679 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.1436 |
| Heavy Atoms | 27 |
| Complexity | 899.4478 |
Chemical Identifiers
| CAS Number | 866153-35-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN=C2SCC3=CC=CC=C3 |
Product Overview
2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine (CAS 866153-35-7), with molecular formula C21H26N2O2S2 and molecular weight 402.14 g/mol. IUPAC: 2-benzylsulfanyl-1-(4-tert-butylphenyl)sulfonyl-5,6-dihydro-4H-pyrimidine.
Chemical Property Profile of 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine
Property Insights of 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine
The XLogP value of 4.6679 indicates that 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.74 Ų, 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine 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-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine?
The CAS number of 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine is 866153-35-7.
What is the molecular formula of 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine?
The molecular formula of 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine is C21H26N2O2S2.
What is the molecular weight of 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine?
The molecular weight of 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine is 402.14 g/mol.
Where can I buy 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine?
You can request a quote for 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-1-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,5,6-tetrahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.