RefChem:316401
TL;DR: RefChem:316401 (CAS 63233-96-5) is a chemical compound with molecular formula C11H23O4PS3 and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(2-diethoxyphosphinothioylsulfanylethylsulfanyl)acetate
Also Known As: Acetic acid, 2-((2-mercaptoethyl)thio)-, isopropyl eseter, S-ester with O,O-diethyl phosphorodithioate, 3-Oxa-5,8-dithia-4-phosphadecan-10-oic acid, 4-ethoxy-, 1-methylethyl ester, 4-sulfide, propan-2-yl 2-(2-diethoxyphosphinothioylsulfanylethylsulfanyl)acetate, [2-[(Diethoxyphosphinothioyl)thio]ethylthio]acetic acid isopropyl ester, Propan-2-yl 4-ethoxy-4-sulfanylidene-3-oxa-5,8-dithia-4lambda~5~-phosphadecan-10-oate
| Molecular Formula | C11H23O4PS3 |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 346.04962 |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 63233-96-5 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCCSCC(=O)OC(C)C |
| InChIKey | HCGWQUXMVXFGRE-UHFFFAOYSA-N |
Product Overview
RefChem:316401 (CAS 63233-96-5), with molecular formula C11H23O4PS3 and molecular weight 346.05 g/mol. IUPAC: propan-2-yl 2-(2-diethoxyphosphinothioylsulfanylethylsulfanyl)acetate.
Chemical Property Profile of RefChem:316401
Property Insights of RefChem:316401
The XLogP value of 4.4 indicates that RefChem:316401 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:316401. Following Lipinski's Rule of Five, RefChem:316401 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:316401?
The CAS number of RefChem:316401 is 63233-96-5.
What is the molecular formula of RefChem:316401?
The molecular formula of RefChem:316401 is C11H23O4PS3.
What is the molecular weight of RefChem:316401?
The molecular weight of RefChem:316401 is 346.05 g/mol.
Where can I buy RefChem:316401?
You can request a quote for RefChem:316401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316401?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.