1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2)
TL;DR: 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2) (CAS 18067-31-7) is a chemical compound with molecular formula C12H18Cl2N2O8S2 and molecular weight 451.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-(chloromethyl)-4-methyl-1,3-oxazole);ethane-1,2-disulfonic acid
Also Known As: Homoveratric acid,ethyl ester, 5-Chloromethyl-4-methyloxazole compd. with 1,2-ethanedisulfonic acid (2:1), 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2), 5-(chloromethyl)-4-methyl-1,3-oxazole; ethane-1,2-disulfonic acid, 5-(chloromethyl)-4-methyl-1,3-oxazole;ethane-1,2-disulfonic acid
| Molecular Formula | C12H18Cl2N2O8S2 |
|---|---|
| Molecular Weight | 451.99 g/mol |
| LogP | 2.20564 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.98816 |
| Heavy Atoms | 26 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 18067-31-7 |
|---|---|
| SMILES | CC1=C(OC=N1)CCl.CC1=C(OC=N1)CCl.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | UULQYTJKALLOJO-UHFFFAOYSA-N |
Product Overview
1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2) (CAS 18067-31-7), with molecular formula C12H18Cl2N2O8S2 and molecular weight 451.99 g/mol. IUPAC: bis(5-(chloromethyl)-4-methyl-1,3-oxazole);ethane-1,2-disulfonic acid.
Chemical Property Profile of 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2)
Property Insights of 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2)
The XLogP value of 2.20564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2). The TPSA of 178.0 Ų indicates high polarity, suggesting 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2) 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 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2)?
The CAS number of 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2) is 18067-31-7.
What is the molecular formula of 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2)?
The molecular formula of 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2) is C12H18Cl2N2O8S2.
What is the molecular weight of 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2)?
The molecular weight of 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2) is 451.99 g/mol.
Where can I buy 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2)?
You can request a quote for 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2) 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-(chloromethyl)-4-methyloxazole (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.