5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole
TL;DR: 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole (CAS 896675-98-2) is a chemical compound with molecular formula C20H21NO3S2 and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-2-(4-methylphenyl)-5-(2-methylpropylsulfanyl)-1,3-oxazole
Also Known As: 5-(isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole, F0586-0137, 4-(benzenesulfonyl)-2-(4-methylphenyl)-5-[(2-methylpropyl)sulfanyl]-1,3-oxazole, 4-(benzenesulfonyl)-2-(4-methylphenyl)-5-(2-methylpropylsulfanyl)-1,3-oxazole
| Molecular Formula | C20H21NO3S2 |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 5.23092 |
| Topological Polar Surface Area | 60.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.09628 |
| Heavy Atoms | 26 |
| Complexity | 975.6556 |
Chemical Identifiers
| CAS Number | 896675-98-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(O2)SCC(C)C)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole (CAS 896675-98-2), with molecular formula C20H21NO3S2 and molecular weight 387.10 g/mol. IUPAC: 4-(benzenesulfonyl)-2-(4-methylphenyl)-5-(2-methylpropylsulfanyl)-1,3-oxazole.
Chemical Property Profile of 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole
Property Insights of 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole
The XLogP value of 5.23092 indicates that 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole. Following Lipinski's Rule of Five, 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole 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 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole?
The CAS number of 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole is 896675-98-2.
What is the molecular formula of 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole?
The molecular formula of 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole is C20H21NO3S2.
What is the molecular weight of 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole?
The molecular weight of 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole is 387.10 g/mol.
Where can I buy 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole?
You can request a quote for 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Isobutylthio)-4-(phenylsulfonyl)-2-(p-tolyl)oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.