2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole
TL;DR: 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole (CAS 18917-16-3) is a chemical compound with molecular formula C13H7N3O5S and molecular weight 317.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenyl)sulfanyl-1,3-benzoxazole
Also Known As: 2-(2,4-Dinitro-phenylsulfanyl)-benzooxazole, 2-(2,4-dinitrophenyl)sulfanyl-1,3-benzoxazole, 2-((2,4-dinitrophenyl)thio)benzo[d]oxazole, 1-benzoxazol-2-ylthio-2,4-dinitrobenzene, 2-[(2,4-dinitrophenyl)thio]-1,3-benzoxazole
| Molecular Formula | C13H7N3O5S |
|---|---|
| Molecular Weight | 317.01 g/mol |
| LogP | 3.7954 |
| Topological Polar Surface Area | 112.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.01065 |
| Heavy Atoms | 22 |
| Complexity | 859.2679 |
Chemical Identifiers
| CAS Number | 18917-16-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole (CAS 18917-16-3), with molecular formula C13H7N3O5S and molecular weight 317.01 g/mol. IUPAC: 2-(2,4-dinitrophenyl)sulfanyl-1,3-benzoxazole.
Chemical Property Profile of 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole
Property Insights of 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole
The XLogP value of 3.7954 indicates that 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole. Following Lipinski's Rule of Five, 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole has 0 hydrogen bond donor(s) and 7 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-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole?
The CAS number of 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole is 18917-16-3.
What is the molecular formula of 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole?
The molecular formula of 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole is C13H7N3O5S.
What is the molecular weight of 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole?
The molecular weight of 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole is 317.01 g/mol.
Where can I buy 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole?
You can request a quote for 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.