3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol
TL;DR: 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol (CAS 419544-49-3) is a chemical compound with molecular formula C20H26N2OS and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-thiophen-3-ylmethyl]phenol
Also Known As: 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol, 3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-thiophen-3-ylmethyl]phenol, 3-((S)-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)(3-thienyl)methyl)phenol, 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(thiophen-3-yl)methyl)phenol, 3-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-thiophen-3-yl-methyl]phenol
| Molecular Formula | C20H26N2OS |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 4.1237 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.17657 |
| Heavy Atoms | 24 |
| Complexity | 670.0382 |
Chemical Identifiers
| CAS Number | 419544-49-3 |
|---|---|
| SMILES | C[C@H]1CN([C@@H](CN1[C@@H](C2=CC(=CC=C2)O)C3=CSC=C3)C)CC=C |
Product Overview
3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol (CAS 419544-49-3), with molecular formula C20H26N2OS and molecular weight 342.18 g/mol. IUPAC: 3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-thiophen-3-ylmethyl]phenol.
Chemical Property Profile of 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol
Property Insights of 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol
The XLogP value of 4.1237 indicates that 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.71 Ų, 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol 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
Frequently Asked Questions
What is the CAS number of 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol?
The CAS number of 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol is 419544-49-3.
What is the molecular formula of 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol?
The molecular formula of 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol is C20H26N2OS.
What is the molecular weight of 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol?
The molecular weight of 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol is 342.18 g/mol.
Where can I buy 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol?
You can request a quote for 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-((S)-((2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl)(3-thienyl)methyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.