RefChem:316413
TL;DR: RefChem:316413 (CAS 63233-93-2) is a chemical compound with molecular formula C10H21O4PS3 and molecular weight 332.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate
Also Known As: 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-ethoxy-, 1-methylethyl ester, 4-sulfide, Acetic acid, 2-((mercaptomethyl)thio)-, isopropyl ester, S-ester with O,O- diethyl phosphorodithioate, [(Diethoxyphosphinothioylthio)methylthio]acetic acid isopropyl ester, propan-2-yl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate, Acetic acid, 2-((mercaptomethyl)thio)-, isopropyl ester, S-ester with O,O-diethyl phosphorodithioate
| Molecular Formula | C10H21O4PS3 |
|---|---|
| Molecular Weight | 332.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 332.03397 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 63233-93-2 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCSCC(=O)OC(C)C |
| InChIKey | JZESOLVVNCKFPL-UHFFFAOYSA-N |
Product Overview
RefChem:316413 (CAS 63233-93-2), with molecular formula C10H21O4PS3 and molecular weight 332.03 g/mol. IUPAC: propan-2-yl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate.
Chemical Property Profile of RefChem:316413
Property Insights of RefChem:316413
The XLogP value of 3.8 indicates that RefChem:316413 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:316413. Following Lipinski's Rule of Five, RefChem:316413 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:316413?
The CAS number of RefChem:316413 is 63233-93-2.
What is the molecular formula of RefChem:316413?
The molecular formula of RefChem:316413 is C10H21O4PS3.
What is the molecular weight of RefChem:316413?
The molecular weight of RefChem:316413 is 332.03 g/mol.
Where can I buy RefChem:316413?
You can request a quote for RefChem:316413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316413?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.