![(6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/849/849913-00-4.png)
(6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 849913-00-4) is a chemical compound with molecular formula C23H14N4O3S and molecular weight 426.08 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-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-2-(benzo[d][1,3]dioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C23H14N4O3S |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 4.23597 |
| Topological Polar Surface Area | 87.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.07867 |
| Heavy Atoms | 31 |
| Complexity | 1387.3369 |
Chemical Identifiers
| CAS Number | 849913-00-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN4C(=N)/C(=C/C5=CC=CC6=CC=CC=C65)/C(=O)N=C4S3 |
Product Overview
(6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 849913-00-4), with molecular formula C23H14N4O3S and molecular weight 426.08 g/mol. IUPAC: (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 4.23597 indicates that (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[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 87.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 6 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 (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 849913-00-4.
What is the molecular formula of (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C23H14N4O3S.
What is the molecular weight of (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 426.08 g/mol.
Where can I buy (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[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)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.