![(6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/845/845629-84-7.png)
(6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 845629-84-7) is a chemical compound with molecular formula C27H18N6O3S and molecular weight 506.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-{[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]methylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C27H18N6O3S |
|---|---|
| Molecular Weight | 506.12 g/mol |
| LogP | 4.48077 |
| Topological Polar Surface Area | 105.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 506.11612 |
| Heavy Atoms | 37 |
| Complexity | 1705.887 |
Chemical Identifiers
| CAS Number | 845629-84-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C=C(C4=CC=CC=C43)/C=C\5/C(=N)N6C(=NC5=O)SC(=N6)C7=CN=CC=C7 |
Product Overview
(6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 845629-84-7), with molecular formula C27H18N6O3S and molecular weight 506.12 g/mol. IUPAC: (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 4.48077 indicates that (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-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 105.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-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)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 845629-84-7.
What is the molecular formula of (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C27H18N6O3S.
What is the molecular weight of (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 506.12 g/mol.
Where can I buy (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-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)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-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.