Oxazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1)
TL;DR: Oxazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1) (CAS 17944-56-8) is a chemical compound with molecular formula C26H30Cl2N2O8S2 and molecular weight 632.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-(2-chloroethyl)-4-methyl-2-phenyl-1,3-oxazole);ethane-1,2-disulfonic acid
Also Known As: 5-(2-Chloroethyl)-4-methyl-2-phenyloxazole ethanedisulfonate (2:1), Oxazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1), 5-(2-chloroethyl)-4-methyl-2-phenyl-1,3-oxazole; ethane-1,2-disulfonic acid, Ethane-1,2-disulfonic acid--5-(2-chloroethyl)-4-methyl-2-phenyl-1,3-oxazole (1/2), RefChem:367257
| Molecular Formula | C26H30Cl2N2O8S2 |
|---|---|
| Molecular Weight | 632.08 g/mol |
| LogP | 5.62464 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 632.0821 |
| Heavy Atoms | 40 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 17944-56-8 |
|---|---|
| SMILES | CC1=C(OC(=N1)C2=CC=CC=C2)CCCl.CC1=C(OC(=N1)C2=CC=CC=C2)CCCl.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | JWQGDOBKQIOGOX-UHFFFAOYSA-N |
Product Overview
Oxazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1) (CAS 17944-56-8), with molecular formula C26H30Cl2N2O8S2 and molecular weight 632.08 g/mol. IUPAC: bis(5-(2-chloroethyl)-4-methyl-2-phenyl-1,3-oxazole);ethane-1,2-disulfonic acid.
Chemical Property Profile of Oxazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1)
Property Insights of Oxazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1)
The XLogP value of 5.62464 indicates that Oxazole, 5-(2-chloroethyl)-4-methyl-2-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-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxazole, 5-(2-chloroethyl)-4-methyl-2-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-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1)?
The CAS number of Oxazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1) is 17944-56-8.
What is the molecular formula of Oxazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1)?
The molecular formula of Oxazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1) is C26H30Cl2N2O8S2.
What is the molecular weight of Oxazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1)?
The molecular weight of Oxazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1) is 632.08 g/mol.
Where can I buy Oxazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1)?
You can request a quote for Oxazole, 5-(2-chloroethyl)-4-methyl-2-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-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Oxazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.