![(Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/865/865857-65-4.png)
(Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 865857-65-4) is a chemical compound with molecular formula C27H20N4O4S and molecular weight 496.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C27H20N4O4S |
|---|---|
| Molecular Weight | 496.12 g/mol |
| LogP | 4.97019 |
| Topological Polar Surface Area | 96.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.1205 |
| Heavy Atoms | 36 |
| Complexity | 1493.8634 |
Chemical Identifiers
| CAS Number | 865857-65-4 |
|---|---|
| SMILES | CC1=CC=CC=C1COC2=CC=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CC6=C(C=C5)OCO6 |
Product Overview
(Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 865857-65-4), with molecular formula C27H20N4O4S and molecular weight 496.12 g/mol. IUPAC: (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 4.97019 indicates that (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-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 (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 7 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 (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 865857-65-4.
What is the molecular formula of (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C27H20N4O4S.
What is the molecular weight of (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 496.12 g/mol.
Where can I buy (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.