Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride
TL;DR: Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride (CAS 127906-65-4) is a chemical compound with molecular formula C17H22ClNOS and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(diethylaminomethyl)phenyl]sulfanylphenol;hydrochloride
Also Known As: 3-((2-((Diethylamino)methyl)phenyl)thio)phenol hydrochloride, Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride, 3-[2-(diethylaminomethyl)phenyl]sulfanylphenol,hydrochloride, 3-[2-(diethylaminomethyl)phenyl]sulfanylphenol hydrochloride, (2S,4R)-4-benzylpyrrolidine-2-carboxylic acid,hydrochloride
| Molecular Formula | C17H22ClNOS |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 4.807 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.11105 |
| Heavy Atoms | 21 |
| Complexity | 557.9913 |
Chemical Identifiers
| CAS Number | 127906-65-4 |
|---|---|
| SMILES | CCN(CC)CC1=CC=CC=C1SC2=CC=CC(=C2)O.Cl |
Product Overview
Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride (CAS 127906-65-4), with molecular formula C17H22ClNOS and molecular weight 323.11 g/mol. IUPAC: 3-[2-(diethylaminomethyl)phenyl]sulfanylphenol;hydrochloride.
Chemical Property Profile of Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride
Property Insights of Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride
The XLogP value of 4.807 indicates that Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride 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 Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride?
The CAS number of Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride is 127906-65-4.
What is the molecular formula of Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride?
The molecular formula of Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride is C17H22ClNOS.
What is the molecular weight of Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride?
The molecular weight of Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride is 323.11 g/mol.
Where can I buy Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride?
You can request a quote for Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-((2-((diethylamino)methyl)phenyl)thio)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.