![(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/843/843618-99-5.png)
(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 843618-99-5) is a chemical compound with molecular formula C18H11N5O3S and molecular weight 377.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (E)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C18H11N5O3S |
|---|---|
| Molecular Weight | 377.06 g/mol |
| LogP | 2.47777 |
| Topological Polar Surface Area | 100.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.05826 |
| Heavy Atoms | 27 |
| Complexity | 1077.6597 |
Chemical Identifiers
| CAS Number | 843618-99-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5 |
Product Overview
(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 843618-99-5), with molecular formula C18H11N5O3S and molecular weight 377.06 g/mol. IUPAC: (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 2.47777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. The TPSA of 100.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-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 (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 843618-99-5.
What is the molecular formula of (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C18H11N5O3S.
What is the molecular weight of (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 377.06 g/mol.
Where can I buy (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[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 (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.