Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)
TL;DR: Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1) (CAS 36775-20-9) is a chemical compound with molecular formula C22H24N2O8S2 and molecular weight 508.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethane-1,2-disulfonic acid;bis(5-methyl-4-phenyl-1,3-oxazole)
Also Known As: C10H9NO.1/2C2H6O6S2, 5-Methyl-4-phenyloxazole 1,2-ethanedisulfonate (2:1), Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1), C10-H9-N-O.1/2C2-H6-O6-S2, 1,2-Ethane disulfonic acid, compd. with 5-methyl-4-phenyloxazole (1:2)
| Molecular Formula | C22H24N2O8S2 |
|---|---|
| Molecular Weight | 508.10 g/mol |
| LogP | 4.06204 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.0974 |
| Heavy Atoms | 34 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 36775-20-9 |
|---|---|
| SMILES | CC1=C(N=CO1)C2=CC=CC=C2.CC1=C(N=CO1)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | UVLCHFGYCQRMRX-UHFFFAOYSA-N |
Product Overview
Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1) (CAS 36775-20-9), with molecular formula C22H24N2O8S2 and molecular weight 508.10 g/mol. IUPAC: ethane-1,2-disulfonic acid;bis(5-methyl-4-phenyl-1,3-oxazole).
Chemical Property Profile of Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)
Property Insights of Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)
The XLogP value of 4.06204 indicates that Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 Ų indicates high polarity, suggesting Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1) has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)?
The CAS number of Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1) is 36775-20-9.
What is the molecular formula of Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)?
The molecular formula of Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1) is C22H24N2O8S2.
What is the molecular weight of Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)?
The molecular weight of Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1) is 508.10 g/mol.
Where can I buy Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)?
You can request a quote for Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.