Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4)
TL;DR: Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4) (CAS 29584-91-6) is a chemical compound with molecular formula C12H20N2O8S2 and molecular weight 384.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4,5-dimethyl-1,3-oxazole);ethane-1,2-disulfonic acid
Also Known As: 4,5-Dimethyloxazole 1,2-ethanedisulfonate, C5H7NO.4/7C2H6O6S2, Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4), C5-H7-N-O.4/7C2-H6-O6-S2, 4,5-dimethyl-1,3-oxazole; ethane-1,2-disulfonic acid
| Molecular Formula | C12H20N2O8S2 |
|---|---|
| Molecular Weight | 384.07 g/mol |
| LogP | 1.34488 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.0661 |
| Heavy Atoms | 24 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 29584-91-6 |
|---|---|
| SMILES | CC1=C(OC=N1)C.CC1=C(OC=N1)C.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | AKDAZKHLVFSAHQ-UHFFFAOYSA-N |
Product Overview
Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4) (CAS 29584-91-6), with molecular formula C12H20N2O8S2 and molecular weight 384.07 g/mol. IUPAC: bis(4,5-dimethyl-1,3-oxazole);ethane-1,2-disulfonic acid.
Chemical Property Profile of Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4)
Property Insights of Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4)
The XLogP value of 1.34488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4). The TPSA of 178.0 Ų indicates high polarity, suggesting Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4) has 2 hydrogen bond donor(s) and 10 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 Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4)?
The CAS number of Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4) is 29584-91-6.
What is the molecular formula of Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4)?
The molecular formula of Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4) is C12H20N2O8S2.
What is the molecular weight of Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4)?
The molecular weight of Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4) is 384.07 g/mol.
Where can I buy Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4)?
You can request a quote for Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4)?
Yes, KEHONG BIO provides custom synthesis services for Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.