![2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole structure](/static/products/3219/321971-30-6.webp)
2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole
TL;DR: 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole (CAS 321971-30-6) is a chemical compound with molecular formula C14H9N3O7S2 and molecular weight 394.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylsulfonyl-2,6-dinitrophenyl)sulfanyl-1,3-benzoxazole
Also Known As: AB00686087-01, 2-((4-(methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole, 2-[(4-METHANESULFONYL-2,6-DINITROPHENYL)SULFANYL]-1,3-BENZOXAZOLE, 2-(4-methylsulfonyl-2,6-dinitrophenyl)sulfanyl-1,3-benzoxazole, F1472-0142
| Molecular Formula | C14H9N3O7S2 |
|---|---|
| Molecular Weight | 394.99 g/mol |
| LogP | 3.1989 |
| Topological Polar Surface Area | 146.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.9882 |
| Heavy Atoms | 26 |
| Complexity | 1086.3069 |
Chemical Identifiers
| CAS Number | 321971-30-6 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3O2)[N+](=O)[O-] |
Product Overview
2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole (CAS 321971-30-6), with molecular formula C14H9N3O7S2 and molecular weight 394.99 g/mol. IUPAC: 2-(4-methylsulfonyl-2,6-dinitrophenyl)sulfanyl-1,3-benzoxazole.
Chemical Property Profile of 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole
Property Insights of 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole
The XLogP value of 3.1989 indicates that 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.45 Ų indicates high polarity, suggesting 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole has 0 hydrogen bond donor(s) and 9 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-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole?
The CAS number of 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole is 321971-30-6.
What is the molecular formula of 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole?
The molecular formula of 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole is C14H9N3O7S2.
What is the molecular weight of 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole?
The molecular weight of 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole is 394.99 g/mol.
Where can I buy 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole?
You can request a quote for 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.