甲氧基乙酸2-(苯硫基)乙酯
TL;DR: 甲氧基乙酸2-(苯硫基)乙酯 (CAS 60359-69-5) is a chemical compound with molecular formula C11H14O3S and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲氧基乙酸2-(苯硫基)乙酯
2-phenylsulfanylethyl 2-methoxyacetate
Also Known As: 2-phenylsulfanylethyl 2-methoxyacetate, 2-(Phenylsulfanyl)ethyl methoxyacetate, Acetic acid, methoxy-, 2-(phenylthio)ethyl ester
| Molecular Formula | C11H14O3S |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.06636 |
| Heavy Atoms | 15 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 60359-69-5 |
|---|---|
| SMILES | COCC(=O)OCCSC1=CC=CC=C1 |
| InChIKey | IQDXLVHBJVCJNT-UHFFFAOYSA-N |
Product Overview
甲氧基乙酸2-(苯硫基)乙酯 (CAS 60359-69-5), with molecular formula C11H14O3S and molecular weight 226.07 g/mol. IUPAC: 2-phenylsulfanylethyl 2-methoxyacetate.
Chemical Property Profile of 甲氧基乙酸2-(苯硫基)乙酯
Property Insights of 甲氧基乙酸2-(苯硫基)乙酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲氧基乙酸2-(苯硫基)乙酯. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲氧基乙酸2-(苯硫基)乙酯. Following Lipinski's Rule of Five, 甲氧基乙酸2-(苯硫基)乙酯 has 0 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 甲氧基乙酸2-(苯硫基)乙酯?
The CAS number of 甲氧基乙酸2-(苯硫基)乙酯 is 60359-69-5.
What is the molecular formula of 甲氧基乙酸2-(苯硫基)乙酯?
The molecular formula of 甲氧基乙酸2-(苯硫基)乙酯 is C11H14O3S.
What is the molecular weight of 甲氧基乙酸2-(苯硫基)乙酯?
The molecular weight of 甲氧基乙酸2-(苯硫基)乙酯 is 226.07 g/mol.
Where can I buy 甲氧基乙酸2-(苯硫基)乙酯?
You can request a quote for 甲氧基乙酸2-(苯硫基)乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲氧基乙酸2-(苯硫基)乙酯?
Yes, KEHONG BIO provides custom synthesis services for 甲氧基乙酸2-(苯硫基)乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.