RefChem:316414
TL;DR: RefChem:316414 (CAS 63274-86-2) is a chemical compound with molecular formula C8H17O5PS2 and molecular weight 288.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate
Also Known As: 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-ethoxy-, methyl ester, 4-oxide, 2-((Mercaptomethyl)thio)acetic acid methyl ester S-ester with diethyl phosphorothioate, Acetic acid, 2-((mercaptomethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate, methyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate, [(Diethoxyphosphinoylthio)methylthio]acetic acid methyl ester
| Molecular Formula | C8H17O5PS2 |
|---|---|
| Molecular Weight | 288.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 288.0255 |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 63274-86-2 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCSCC(=O)OC |
| InChIKey | BGOVSFKQTGNFLR-UHFFFAOYSA-N |
Product Overview
RefChem:316414 (CAS 63274-86-2), with molecular formula C8H17O5PS2 and molecular weight 288.03 g/mol. IUPAC: methyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate.
Chemical Property Profile of RefChem:316414
Property Insights of RefChem:316414
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:316414. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316414. Following Lipinski's Rule of Five, RefChem:316414 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:316414?
The CAS number of RefChem:316414 is 63274-86-2.
What is the molecular formula of RefChem:316414?
The molecular formula of RefChem:316414 is C8H17O5PS2.
What is the molecular weight of RefChem:316414?
The molecular weight of RefChem:316414 is 288.03 g/mol.
Where can I buy RefChem:316414?
You can request a quote for RefChem:316414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316414?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.