![4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine structure](/static/products/4780/478080-95-4.webp)
4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine
TL;DR: 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine (CAS 478080-95-4) is a chemical compound with molecular formula C26H24N2O2S2 and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-4-(4-tert-butylphenyl)sulfanyl-2-phenylpyrimidine
Also Known As: 8N-591S, 4-{[4-(tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine, 5-(benzenesulfonyl)-4-(4-tert-butylphenyl)sulfanyl-2-phenylpyrimidine, 5-(benzenesulfonyl)-4-[(4-tert-butylphenyl)sulfanyl]-2-phenylpyrimidine, 5-(benzenesulfonyl)-2-phenyl-4-(4-tert-butylphenyl)sulfanyl-pyrimidine
| Molecular Formula | C26H24N2O2S2 |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | 6.4251 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.12793 |
| Heavy Atoms | 32 |
| Complexity | 1314.123 |
Chemical Identifiers
| CAS Number | 478080-95-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SC2=NC(=NC=C2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine (CAS 478080-95-4), with molecular formula C26H24N2O2S2 and molecular weight 460.13 g/mol. IUPAC: 5-(benzenesulfonyl)-4-(4-tert-butylphenyl)sulfanyl-2-phenylpyrimidine.
Chemical Property Profile of 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine
Property Insights of 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine
The XLogP value of 6.4251 indicates that 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.92 Ų, 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine?
The CAS number of 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine is 478080-95-4.
What is the molecular formula of 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine?
The molecular formula of 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine is C26H24N2O2S2.
What is the molecular weight of 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine?
The molecular weight of 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine is 460.13 g/mol.
Where can I buy 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine?
You can request a quote for 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(Tert-butyl)phenyl]sulfanyl}-2-phenyl-5-(phenylsulfonyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.