(2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium
TL;DR: (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium (CAS 845-46-5) is a chemical compound with molecular formula C10H13O3S+ and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-dimethylsulfanium
Also Known As: Dhpoe-dms, (2- dimethylsulfonium, (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium, [2-(3,4-dihydroxyphenyl)-2-oxoethyl](dimethyl)sulfonium, [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-dimethylsulfanium
| Molecular Formula | C10H13O3S+ |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 58.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.05855 |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 845-46-5 |
|---|---|
| SMILES | C[S+](C)CC(=O)C1=CC(=C(C=C1)O)O |
| InChIKey | ZAMWWUKFTNAPSN-UHFFFAOYSA-O |
Product Overview
(2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium (CAS 845-46-5), with molecular formula C10H13O3S+ and molecular weight 213.06 g/mol. IUPAC: [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-dimethylsulfanium.
Chemical Property Profile of (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium
Property Insights of (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium. With a topological polar surface area (TPSA) of 58.5 Ų, (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium has 2 hydrogen bond donor(s) and 3 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 (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium?
The CAS number of (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium is 845-46-5.
What is the molecular formula of (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium?
The molecular formula of (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium is C10H13O3S+.
What is the molecular weight of (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium?
The molecular weight of (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium is 213.06 g/mol.
Where can I buy (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium?
You can request a quote for (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium?
Yes, KEHONG BIO provides custom synthesis services for (2-(3,4-Dihydroxyphenyl)-2-oxoethyl)dimethylsulfonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.