RefChem:316411
TL;DR: RefChem:316411 (CAS 68640-58-4) is a chemical compound with molecular formula C9H19O5PS2 and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate
Also Known As: Acetic acid, ((((diethoxyphosphinyl)thio)methyl)thio)-, ethyl ester, 2-((Mercaptomethyl)thio)acetic acid ethyl ester S-ester with diethyl phosphorothioate, Acetic acid, 2-((mercaptomethyl)thio)-, ethyl ester, S-ester with diethyl phosphorothioate, ethyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate, [(Diethoxyphosphinoylthio)methylthio]acetic acid ethyl ester
| Molecular Formula | C9H19O5PS2 |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 302.04117 |
| Heavy Atoms | 17 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 68640-58-4 |
|---|---|
| SMILES | CCOC(=O)CSCSP(=O)(OCC)OCC |
| InChIKey | XGZNJXJOSSUDID-UHFFFAOYSA-N |
Product Overview
RefChem:316411 (CAS 68640-58-4), with molecular formula C9H19O5PS2 and molecular weight 302.04 g/mol. IUPAC: ethyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate.
Chemical Property Profile of RefChem:316411
Property Insights of RefChem:316411
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:316411. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316411. Following Lipinski's Rule of Five, RefChem:316411 has 0 hydrogen bond donor(s) and 7 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:316411?
The CAS number of RefChem:316411 is 68640-58-4.
What is the molecular formula of RefChem:316411?
The molecular formula of RefChem:316411 is C9H19O5PS2.
What is the molecular weight of RefChem:316411?
The molecular weight of RefChem:316411 is 302.04 g/mol.
Where can I buy RefChem:316411?
You can request a quote for RefChem:316411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316411?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.