RefChem:371310
TL;DR: RefChem:371310 (CAS 6330-00-3) is a chemical compound with molecular formula C8H15N2O4PS2 and molecular weight 298.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethoxyphosphorylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazole
Also Known As: o,o-diethyl s-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl] phosphorothioate, Phosphorothioic acid, O,O-diethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) ester, O,O-Diethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorothioate, 2-(diethoxyphosphorylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazole, dithiophosphoric acid O,O'-diethyl ester S-(5-methoxy-[1,3,4]thiadiazol-2-ylmethyl) ester
| Molecular Formula | C8H15N2O4PS2 |
|---|---|
| Molecular Weight | 298.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.0211 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 6330-00-3 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCC1=NN=C(S1)OC |
| InChIKey | ZVKNAPZNJGGNMP-UHFFFAOYSA-N |
Product Overview
RefChem:371310 (CAS 6330-00-3), with molecular formula C8H15N2O4PS2 and molecular weight 298.02 g/mol. IUPAC: 2-(diethoxyphosphorylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazole.
Chemical Property Profile of RefChem:371310
Property Insights of RefChem:371310
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371310. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371310. Following Lipinski's Rule of Five, RefChem:371310 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:371310?
The CAS number of RefChem:371310 is 6330-00-3.
What is the molecular formula of RefChem:371310?
The molecular formula of RefChem:371310 is C8H15N2O4PS2.
What is the molecular weight of RefChem:371310?
The molecular weight of RefChem:371310 is 298.02 g/mol.
Where can I buy RefChem:371310?
You can request a quote for RefChem:371310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371310?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.