![(6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure](/static/products/827/827331-79-3.png)
(6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
TL;DR: (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one (CAS 827331-79-3) is a chemical compound with molecular formula C22H20N4O4S2 and molecular weight 468.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-3-benzylsulfanyl-5-imino-6-[(2,3,4-trimethoxyphenyl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Also Known As: (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (Z)-3-(benzylthio)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7(6H)-one, (6Z)-3-benzylsulfanyl-5-imino-6-[(2,3,4-trimethoxyphenyl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
| Molecular Formula | C22H20N4O4S2 |
|---|---|
| Molecular Weight | 468.09 g/mol |
| LogP | 4.22247 |
| Topological Polar Surface Area | 96.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.0926 |
| Heavy Atoms | 32 |
| Complexity | 1162.0209 |
Chemical Identifiers
| CAS Number | 827331-79-3 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SN=C3SCC4=CC=CC=C4)OC)OC |
Product Overview
(6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one (CAS 827331-79-3), with molecular formula C22H20N4O4S2 and molecular weight 468.09 g/mol. IUPAC: (6Z)-3-benzylsulfanyl-5-imino-6-[(2,3,4-trimethoxyphenyl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Property Insights of (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
The XLogP value of 4.22247 indicates that (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one has 1 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 (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The CAS number of (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 827331-79-3.
What is the molecular formula of (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular formula of (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is C22H20N4O4S2.
What is the molecular weight of (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular weight of (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 468.09 g/mol.
Where can I buy (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
You can request a quote for (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-3-(benzylsulfanyl)-5-imino-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.