Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester
TL;DR: Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester (CAS 60508-77-2) is a chemical compound with molecular formula C11H15O4PS2 and molecular weight 306.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[hydroxy(methoxy)phosphinothioyl]sulfanyl-2-phenylacetate
Also Known As: Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester, ethyl 2-[hydroxy(methoxy)phosphinothioyl]sulfanyl-2-phenylacetate, Ethyl {[hydroxy(methoxy)phosphorothioyl]sulfanyl}(phenyl)acetate, Benzeneaceticacid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester
| Molecular Formula | C11H15O4PS2 |
|---|---|
| Molecular Weight | 306.01 g/mol |
| LogP | 2.8872 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.01492 |
| Heavy Atoms | 18 |
| Complexity | 437.92917 |
Chemical Identifiers
| CAS Number | 60508-77-2 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)SP(=S)(O)OC |
Product Overview
Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester (CAS 60508-77-2), with molecular formula C11H15O4PS2 and molecular weight 306.01 g/mol. IUPAC: ethyl 2-[hydroxy(methoxy)phosphinothioyl]sulfanyl-2-phenylacetate.
Chemical Property Profile of Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester
Property Insights of Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester
The XLogP value of 2.8872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester. With a topological polar surface area (TPSA) of 55.76 Ų, Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester has 1 hydrogen bond donor(s) and 5 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 Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester?
The CAS number of Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester is 60508-77-2.
What is the molecular formula of Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester?
The molecular formula of Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester is C11H15O4PS2.
What is the molecular weight of Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester?
The molecular weight of Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester is 306.01 g/mol.
Where can I buy Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester?
You can request a quote for Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-((mercaptomethoxyphosphinyl)thio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.