Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1)
TL;DR: Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1) (CAS 66375-36-8) is a chemical compound with molecular formula C12H19NO4S and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-1,3-oxazolidine;3-methylbenzenesulfonic acid
Also Known As: 4,4-Dimethyloxazolidinium toluenesulphonate, 4,4-Dimethyloxazolidinium toluenesulfonate, 3-methylbenzenesulfonic acid- 4,4-dimethyl-1,3-oxazolidine(1:1), Toluene-ar-sulfonic acid, compd. with 4,4-dimethyloxazolidine, 4,4-dimethyl-1,3-oxazolidine; 3-methylbenzenesulfonic acid
| Molecular Formula | C12H19NO4S |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 1.58 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.1035 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 66375-36-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)O.CC1(COCN1)C |
| InChIKey | YPCVMRVJOUNXMD-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1) (CAS 66375-36-8), with molecular formula C12H19NO4S and molecular weight 273.10 g/mol. IUPAC: 4,4-dimethyl-1,3-oxazolidine;3-methylbenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1)
Property Insights of Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1)
The XLogP value of 1.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1). The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1). Following Lipinski's Rule of Five, Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1) has 2 hydrogen bond donor(s) and 5 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 Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1)?
The CAS number of Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1) is 66375-36-8.
What is the molecular formula of Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1)?
The molecular formula of Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1) is C12H19NO4S.
What is the molecular weight of Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1)?
The molecular weight of Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1) is 273.10 g/mol.
Where can I buy Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1)?
You can request a quote for Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.