β-(2-二甲氨基乙硫基)苯乙醇
TL;DR: β-(2-二甲氨基乙硫基)苯乙醇 (CAS 90090-55-4) is a chemical compound with molecular formula C12H19NOS and molecular weight 225.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
β-(2-二甲氨基乙硫基)苯乙醇
2-[2-(dimethylamino)ethylsulfanyl]-2-phenylethanol
Also Known As: 4-Butylresorcinol, Beta-(2-Dimethylaminoethylthio)-Phenethyl Alcohol, BETA- -PHENETHYLALCOHOL, Benzeneethanol, b-[[2-(dimethylamino)ethyl]thio]-, 2-[2-(dimethylamino)ethylsulfanyl]-2-phenylethanol
| Molecular Formula | C12H19NOS |
|---|---|
| Molecular Weight | 225.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 48.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 225.11873 |
| Heavy Atoms | 15 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 90090-55-4 |
|---|---|
| SMILES | CN(C)CCSC(CO)C1=CC=CC=C1 |
| InChIKey | CRZLTMRCYQCJDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
β-(2-二甲氨基乙硫基)苯乙醇 (CAS 90090-55-4), with molecular formula C12H19NOS and molecular weight 225.12 g/mol. IUPAC: 2-[2-(dimethylamino)ethylsulfanyl]-2-phenylethanol.
Chemical Property Profile of β-(2-二甲氨基乙硫基)苯乙醇
Property Insights of β-(2-二甲氨基乙硫基)苯乙醇
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for β-(2-二甲氨基乙硫基)苯乙醇. With a topological polar surface area (TPSA) of 48.8 Ų, β-(2-二甲氨基乙硫基)苯乙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, β-(2-二甲氨基乙硫基)苯乙醇 has 1 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 β-(2-二甲氨基乙硫基)苯乙醇?
The CAS number of β-(2-二甲氨基乙硫基)苯乙醇 is 90090-55-4.
What is the molecular formula of β-(2-二甲氨基乙硫基)苯乙醇?
The molecular formula of β-(2-二甲氨基乙硫基)苯乙醇 is C12H19NOS.
What is the molecular weight of β-(2-二甲氨基乙硫基)苯乙醇?
The molecular weight of β-(2-二甲氨基乙硫基)苯乙醇 is 225.12 g/mol.
Where can I buy β-(2-二甲氨基乙硫基)苯乙醇?
You can request a quote for β-(2-二甲氨基乙硫基)苯乙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-(2-二甲氨基乙硫基)苯乙醇?
Yes, KEHONG BIO provides custom synthesis services for β-(2-二甲氨基乙硫基)苯乙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.