Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide
TL;DR: Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide (CAS 127906-97-2) is a chemical compound with molecular formula C15H17NO4S and molecular weight 307.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(3-hydroxyphenyl)sulfonylphenyl]-N,N-dimethylmethanamine oxide
Also Known As: Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide, N,N-Dimethyl-2-(3-hydroxyphenylthio)benzylamine N,S,S-trioxide, 1-[2-(3-hydroxyphenyl)sulfonylphenyl]-N,N-dimethylmethanamine oxide, (2S,4R)-4-benzylpyrrolidine-2-carboxylic acid,hydrochloride, [2-(3-Hydroxybenzene-1-sulfonyl)phenyl]-N,N-dimethylmethanamine N-oxide
Technical Specifications
| Molecular Formula | C15H17NO4S |
| Molecular Weight | 307.08783 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 80.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.08783 Da |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
| SMILES | C[N+](C)(CC1=CC=CC=C1S(=O)(=O)C2=CC=CC(=C2)O)[O-] |
| InChIKey | QPRZYHVGBDSKDI-UHFFFAOYSA-N |
Chemical Property Profile of Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide
Property Insights of Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide. Following Lipinski's Rule of Five, Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide?
The CAS number of Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide is 127906-97-2.
What is the molecular formula of Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide?
The molecular formula of Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide is C15H17NO4S.
What is the molecular weight of Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide?
The molecular weight of Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide is 307.08783 g/mol.
Where can I buy Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide?
You can request a quote for Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide?
Yes, CoreyChem provides custom synthesis services for Phenol, 3-((2-((dimethylamino)methyl)phenyl)sulfonyl)-, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.