2-(2-庚炔基硫基)苯酚乙酸酯
TL;DR: 2-(2-庚炔基硫基)苯酚乙酸酯 (CAS 209125-28-0) is a chemical compound with molecular formula C15H18O2S and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-庚炔基硫基)苯酚乙酸酯
(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
| Molecular Formula | C15H18O2S |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.10275 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 209125-28-0 |
|---|---|
| SMILES | CCCCC#CCSC1=CC=CC=C1OC(=O)C |
| InChIKey | GXMBHQRROXQUJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-庚炔基硫基)苯酚乙酸酯 (CAS 209125-28-0), with molecular formula C15H18O2S and molecular weight 262.10 g/mol. IUPAC: (2-hept-2-ynylsulfanylphenyl) acetate.
Chemical Property Profile of 2-(2-庚炔基硫基)苯酚乙酸酯
Property Insights of 2-(2-庚炔基硫基)苯酚乙酸酯
The XLogP value of 4.3 indicates that 2-(2-庚炔基硫基)苯酚乙酸酯 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-庚炔基硫基)苯酚乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-庚炔基硫基)苯酚乙酸酯 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
Frequently Asked Questions
What is the CAS number of 2-(2-庚炔基硫基)苯酚乙酸酯?
The CAS number of 2-(2-庚炔基硫基)苯酚乙酸酯 is 209125-28-0.
What is the molecular formula of 2-(2-庚炔基硫基)苯酚乙酸酯?
The molecular formula of 2-(2-庚炔基硫基)苯酚乙酸酯 is C15H18O2S.
What is the molecular weight of 2-(2-庚炔基硫基)苯酚乙酸酯?
The molecular weight of 2-(2-庚炔基硫基)苯酚乙酸酯 is 262.10 g/mol.
Where can I buy 2-(2-庚炔基硫基)苯酚乙酸酯?
You can request a quote for 2-(2-庚炔基硫基)苯酚乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-庚炔基硫基)苯酚乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-庚炔基硫基)苯酚乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.