RefChem:316415
TL;DR: RefChem:316415 (CAS 63233-91-0) is a chemical compound with molecular formula C8H17O4PS3 and molecular weight 304.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate
Also Known As: 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-ethoxy-, methyl ester, 4-sulfide, methyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate, Acetic acid, 2-((mercaptomethyl)thio)-, methyl ester, S-ester with O,O- diethyl phosphorodithioate, [(Diethoxyphosphinothioylthio)methylthio]acetic acid methyl ester, Acetic acid, 2-((mercaptomethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate
| Molecular Formula | C8H17O4PS3 |
|---|---|
| Molecular Weight | 304.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 304.00266 |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 63233-91-0 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCSCC(=O)OC |
| InChIKey | NKZTZILXRSAESO-UHFFFAOYSA-N |
Product Overview
RefChem:316415 (CAS 63233-91-0), with molecular formula C8H17O4PS3 and molecular weight 304.00 g/mol. IUPAC: methyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate.
Chemical Property Profile of RefChem:316415
Property Insights of RefChem:316415
The XLogP value of 3.1 indicates that RefChem:316415 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:316415. Following Lipinski's Rule of Five, RefChem:316415 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:316415?
The CAS number of RefChem:316415 is 63233-91-0.
What is the molecular formula of RefChem:316415?
The molecular formula of RefChem:316415 is C8H17O4PS3.
What is the molecular weight of RefChem:316415?
The molecular weight of RefChem:316415 is 304.00 g/mol.
Where can I buy RefChem:316415?
You can request a quote for RefChem:316415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316415?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.