![(Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/850/850244-52-9.png)
(Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 850244-52-9) is a chemical compound with molecular formula C21H20N4OS and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-6-(naphthalen-1-ylmethylidene)-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-5-imino-6-(naphthalen-1-ylmethylidene)-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C21H20N4OS |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 4.89517 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.13577 |
| Heavy Atoms | 27 |
| Complexity | 1028.1583 |
Chemical Identifiers
| CAS Number | 850244-52-9 |
|---|---|
| SMILES | CCC(CC)C1=NN2C(=N)/C(=C/C3=CC=CC4=CC=CC=C43)/C(=O)N=C2S1 |
Product Overview
(Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 850244-52-9), with molecular formula C21H20N4OS and molecular weight 376.14 g/mol. IUPAC: (6Z)-5-imino-6-(naphthalen-1-ylmethylidene)-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 4.89517 indicates that (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-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 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 4 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 (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 850244-52-9.
What is the molecular formula of (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C21H20N4OS.
What is the molecular weight of (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 376.14 g/mol.
Where can I buy (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-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)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-imino-6-(naphthalen-1-ylmethylene)-2-(pentan-3-yl)-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.