![(6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/848/848767-86-2.png)
(6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 848767-86-2) is a chemical compound with molecular formula C29H25N5O3S and molecular weight 523.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-imino-6-{3-methoxy-4-[(2-methylbenzyl)oxy]-5-(prop-2-en-1-yl)benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-6-(3-allyl-5-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C29H25N5O3S |
|---|---|
| Molecular Weight | 523.17 g/mol |
| LogP | 5.37359 |
| Topological Polar Surface Area | 100.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 523.1678 |
| Heavy Atoms | 38 |
| Complexity | 1528.4182 |
Chemical Identifiers
| CAS Number | 848767-86-2 |
|---|---|
| SMILES | CC1=CC=CC=C1COC2=C(C=C(C=C2OC)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)CC=C |
Product Overview
(6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 848767-86-2), with molecular formula C29H25N5O3S and molecular weight 523.17 g/mol. IUPAC: (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 5.37359 indicates that (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 848767-86-2.
What is the molecular formula of (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C29H25N5O3S.
What is the molecular weight of (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 523.17 g/mol.
Where can I buy (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-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)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.