RefChem:316650
TL;DR: RefChem:316650 (CAS 37565-83-6) is a chemical compound with molecular formula C12H17O4PS2 and molecular weight 320.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[methoxy(methylsulfanyl)phosphoryl]sulfanyl-2-phenylacetate
Also Known As: Benzeneacetic acid, alpha-((methoxy(methylthio)phosphinyl)thio)-, ethyl ester, Acetic acid, mercaptophenyl-, ethyl ester, S-ester with O,S-dimethyl phosphorodithioate, ethyl {[methoxy(methylsulfanyl)phosphoryl]sulfanyl}(phenyl)acetate, ethyl 2-[methoxy(methylsulfanyl)phosphoryl]sulfanyl-2-phenylacetate, Benzeneacetic acid, alpha-((methoxy(methylthio)phosphinyl)thio)-, ethyl ester (9CI)
| Molecular Formula | C12H17O4PS2 |
|---|---|
| Molecular Weight | 320.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 320.03058 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 37565-83-6 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)SP(=O)(OC)SC |
| InChIKey | OBXULSHFYPVXMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:316650 (CAS 37565-83-6), with molecular formula C12H17O4PS2 and molecular weight 320.03 g/mol. IUPAC: ethyl 2-[methoxy(methylsulfanyl)phosphoryl]sulfanyl-2-phenylacetate.
Chemical Property Profile of RefChem:316650
Property Insights of RefChem:316650
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:316650. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316650. Following Lipinski's Rule of Five, RefChem:316650 has 0 hydrogen bond donor(s) and 6 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 RefChem:316650?
The CAS number of RefChem:316650 is 37565-83-6.
What is the molecular formula of RefChem:316650?
The molecular formula of RefChem:316650 is C12H17O4PS2.
What is the molecular weight of RefChem:316650?
The molecular weight of RefChem:316650 is 320.03 g/mol.
Where can I buy RefChem:316650?
You can request a quote for RefChem:316650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316650?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.