![(Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/531/531540-71-3.png)
(Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 531540-71-3) is a chemical compound with molecular formula C27H25N5O2S and molecular weight 483.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-6-[[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-[(2-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C27H25N5O2S |
|---|---|
| Molecular Weight | 483.17 g/mol |
| LogP | 5.40915 |
| Topological Polar Surface Area | 83.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.17288 |
| Heavy Atoms | 35 |
| Complexity | 1463.9497 |
Chemical Identifiers
| CAS Number | 531540-71-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=CC(=C2C)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)COC5=CC=CC=C5C)C |
Product Overview
(Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 531540-71-3), with molecular formula C27H25N5O2S and molecular weight 483.17 g/mol. IUPAC: (6Z)-6-[[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 5.40915 indicates that (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-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 83.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 531540-71-3.
What is the molecular formula of (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C27H25N5O2S.
What is the molecular weight of (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 483.17 g/mol.
Where can I buy (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-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)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-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.