2-(2-Heptynylthio)-phenol acetate
TL;DR: 2-(2-Heptynylthio)-phenol acetate (CAS 209125-28-0) is a chemical compound with molecular formula C15H18O2S and molecular weight 262.10275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-hept-2-ynylsulfanylphenyl) acetate
Also Known As: aphs, 2-(2-Heptynylthio)phenol Acetate, (2-hept-2-ynylsulfanylphenyl) acetate, 2-(2-Heptynylthio)-phenol Acetate, Phenol, 2-(2-heptynylthio)-, acetate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H18O2S |
| Molecular Weight | 262.10275 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.10275 Da |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
| SMILES | CCCCC#CCSC1=CC=CC=C1OC(=O)C |
| InChIKey | GXMBHQRROXQUJS-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Heptynylthio)-phenol acetate
Property Insights of 2-(2-Heptynylthio)-phenol acetate
The XLogP value of 4.3 indicates that 2-(2-Heptynylthio)-phenol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 2-(2-Heptynylthio)-phenol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Heptynylthio)-phenol acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(2-Heptynylthio)-phenol acetate?
The CAS number of 2-(2-Heptynylthio)-phenol acetate is 209125-28-0.
What is the molecular formula of 2-(2-Heptynylthio)-phenol acetate?
The molecular formula of 2-(2-Heptynylthio)-phenol acetate is C15H18O2S.
What is the molecular weight of 2-(2-Heptynylthio)-phenol acetate?
The molecular weight of 2-(2-Heptynylthio)-phenol acetate is 262.10275 g/mol.
Where can I buy 2-(2-Heptynylthio)-phenol acetate?
You can request a quote for 2-(2-Heptynylthio)-phenol acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Heptynylthio)-phenol acetate?
Yes, CoreyChem provides custom synthesis services for 2-(2-Heptynylthio)-phenol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.