RefChem:371307
TL;DR: RefChem:371307 (CAS 6339-44-2) is a chemical compound with molecular formula C8H15N2O3PS3 and molecular weight 314.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethoxyphosphorylsulfanylmethyl)-5-methylsulfanyl-1,3,4-thiadiazole
Also Known As: O,O-Diethyl S-((5-(methylthio)-1,3,4-thiadiazol-2-yl)methyl) phosphorothioate, o,o-diethyl s-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]methyl} phosphorothioate, Phosphorothioic acid, O,O-diethyl S-((5-(methylthio)-1,3,4-thiadiazol-2-yl)methyl) ester, 2-(diethoxyphosphorylsulfanylmethyl)-5-methylsulfanyl-1,3,4-thiadiazole, BRN 1005691
| Molecular Formula | C8H15N2O3PS3 |
|---|---|
| Molecular Weight | 314.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 313.99823 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 6339-44-2 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCC1=NN=C(S1)SC |
| InChIKey | NYZNVKFCMQYCBL-UHFFFAOYSA-N |
Product Overview
RefChem:371307 (CAS 6339-44-2), with molecular formula C8H15N2O3PS3 and molecular weight 314.00 g/mol. IUPAC: 2-(diethoxyphosphorylsulfanylmethyl)-5-methylsulfanyl-1,3,4-thiadiazole.
Chemical Property Profile of RefChem:371307
Property Insights of RefChem:371307
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371307. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:371307 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:371307 has 0 hydrogen bond donor(s) and 8 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:371307?
The CAS number of RefChem:371307 is 6339-44-2.
What is the molecular formula of RefChem:371307?
The molecular formula of RefChem:371307 is C8H15N2O3PS3.
What is the molecular weight of RefChem:371307?
The molecular weight of RefChem:371307 is 314.00 g/mol.
Where can I buy RefChem:371307?
You can request a quote for RefChem:371307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371307?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.