RefChem:371306
TL;DR: RefChem:371306 (CAS 6339-14-6) is a chemical compound with molecular formula C9H17N2O3PS3 and molecular weight 328.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethoxyphosphorylsulfanylmethyl)-5-ethylsulfanyl-1,3,4-thiadiazole
Also Known As: 2-5-ethylsulfanyl-1,3,4-thiadiazole, Phosphorothioic acid, O,O-diethyl S-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)methyl) ester, O,O-Diethyl S-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)methyl) phosphorothioate, 2-(diethoxyphosphorylsulfanylmethyl)-5-ethylsulfanyl-1,3,4-thiadiazole, o,o-diethyl s-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]methyl} phosphorothioate
| Molecular Formula | C9H17N2O3PS3 |
|---|---|
| Molecular Weight | 328.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 328.0139 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 6339-14-6 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCC1=NN=C(S1)SCC |
| InChIKey | AVXFURUVRXWQDS-UHFFFAOYSA-N |
Product Overview
RefChem:371306 (CAS 6339-14-6), with molecular formula C9H17N2O3PS3 and molecular weight 328.01 g/mol. IUPAC: 2-(diethoxyphosphorylsulfanylmethyl)-5-ethylsulfanyl-1,3,4-thiadiazole.
Chemical Property Profile of RefChem:371306
Property Insights of RefChem:371306
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371306. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:371306 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:371306 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:371306?
The CAS number of RefChem:371306 is 6339-14-6.
What is the molecular formula of RefChem:371306?
The molecular formula of RefChem:371306 is C9H17N2O3PS3.
What is the molecular weight of RefChem:371306?
The molecular weight of RefChem:371306 is 328.01 g/mol.
Where can I buy RefChem:371306?
You can request a quote for RefChem:371306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371306?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.