1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate
TL;DR: 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate (CAS 36779-84-7) is a chemical compound with molecular formula C24H28N2O8S2 and molecular weight 536.13 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-ethyl-4-phenyl-1,3-oxazole)
Also Known As: Oxazole, 5-ethyl-4-phenyl-, 1,2-ethanedisulfonate, dihydrate, 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate, ethane-1,2-disulfonic acid- 5-ethyl-4-phenyl-1,3-oxazole(1:2), ethane-1,2-disulfonic acid,5-ethyl-4-phenyl-1,3-oxazole, ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-1,3-oxazole
| Molecular Formula | C24H28N2O8S2 |
|---|---|
| Molecular Weight | 536.13 g/mol |
| LogP | 4.57 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 536.1287 |
| Heavy Atoms | 36 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 36779-84-7 |
|---|---|
| SMILES | CCC1=C(N=CO1)C2=CC=CC=C2.CCC1=C(N=CO1)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | TTXURGHHLFBHAH-UHFFFAOYSA-N |
Product Overview
1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate (CAS 36779-84-7), with molecular formula C24H28N2O8S2 and molecular weight 536.13 g/mol. IUPAC: ethane-1,2-disulfonic acid;bis(5-ethyl-4-phenyl-1,3-oxazole).
Chemical Property Profile of 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate
Property Insights of 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate
The XLogP value of 4.57 indicates that 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 Ų indicates high polarity, suggesting 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate 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 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate?
The CAS number of 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate is 36779-84-7.
What is the molecular formula of 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate?
The molecular formula of 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate is C24H28N2O8S2.
What is the molecular weight of 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate?
The molecular weight of 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate is 536.13 g/mol.
Where can I buy 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate?
You can request a quote for 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenyloxazole (1:2), dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.