RefChem:316412
TL;DR: RefChem:316412 (CAS 63233-92-1) is a chemical compound with molecular formula C9H19O4PS3 and molecular weight 318.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate
Also Known As: Acetic acid, 2-((mercaptomethyl)thio)-, ethyl ester, S-ester with O,O-diethyl phosphorodithioate, 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-ethoxy-, ethyl ester, 4-sulfide, ethyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate, [(Diethoxyphosphinothioylthio)methylthio]acetic acid ethyl ester, ethyl 2-[({[diethoxy(sulfanylidene)-lambda5-phosphanyl]sulfanyl}methyl)sulfanyl]acetate
| Molecular Formula | C9H19O4PS3 |
|---|---|
| Molecular Weight | 318.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 318.0183 |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 63233-92-1 |
|---|---|
| SMILES | CCOC(=O)CSCSP(=S)(OCC)OCC |
| InChIKey | UWJJGLPLQXVGCK-UHFFFAOYSA-N |
Product Overview
RefChem:316412 (CAS 63233-92-1), with molecular formula C9H19O4PS3 and molecular weight 318.02 g/mol. IUPAC: ethyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate.
Chemical Property Profile of RefChem:316412
Property Insights of RefChem:316412
The XLogP value of 3.4 indicates that RefChem:316412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316412. Following Lipinski's Rule of Five, RefChem:316412 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:316412?
The CAS number of RefChem:316412 is 63233-92-1.
What is the molecular formula of RefChem:316412?
The molecular formula of RefChem:316412 is C9H19O4PS3.
What is the molecular weight of RefChem:316412?
The molecular weight of RefChem:316412 is 318.02 g/mol.
Where can I buy RefChem:316412?
You can request a quote for RefChem:316412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316412?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.