![(6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure](/static/products/578/578735-26-9.png)
(6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
TL;DR: (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one (CAS 578735-26-9) is a chemical compound with molecular formula C29H29N5O2S2 and molecular weight 543.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-3-benzylsulfanyl-6-[[1-[2-(4-tert-butylphenoxy)ethyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Also Known As: (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (6Z)-3-benzylsulfanyl-6-[[1-[2-(4-tert-butylphenoxy)ethyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (Z)-3-(benzylthio)-6-((1-(2-(4-(tert-butyl)phenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-5-imino-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7(6H)-one
| Molecular Formula | C29H29N5O2S2 |
|---|---|
| Molecular Weight | 543.18 g/mol |
| LogP | 6.37467 |
| Topological Polar Surface Area | 83.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.1763 |
| Heavy Atoms | 38 |
| Complexity | 1433.6014 |
Chemical Identifiers
| CAS Number | 578735-26-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCCN2C=CC=C2/C=C\3/C(=N)N4C(=NC3=O)SN=C4SCC5=CC=CC=C5 |
Product Overview
(6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one (CAS 578735-26-9), with molecular formula C29H29N5O2S2 and molecular weight 543.18 g/mol. IUPAC: (6Z)-3-benzylsulfanyl-6-[[1-[2-(4-tert-butylphenoxy)ethyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Property Insights of (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
The XLogP value of 6.37467 indicates that (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-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 83.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The CAS number of (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 578735-26-9.
What is the molecular formula of (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular formula of (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is C29H29N5O2S2.
What is the molecular weight of (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular weight of (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 543.18 g/mol.
Where can I buy (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
You can request a quote for (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-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)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-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)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-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.