![(6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/895/895833-01-9.png)
(6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 895833-01-9) is a chemical compound with molecular formula C16H9ClN4O3S and molecular weight 372.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[(6-chloro-4-oxochromen-3-yl)methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-[(6-chloro-4-oxochromen-3-yl)methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-6-((6-chloro-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C16H9ClN4O3S |
|---|---|
| Molecular Weight | 372.01 g/mol |
| LogP | 3.08547 |
| Topological Polar Surface Area | 99.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.0084 |
| Heavy Atoms | 25 |
| Complexity | 1116.0504 |
Chemical Identifiers
| CAS Number | 895833-01-9 |
|---|---|
| SMILES | CC1=NN2C(=N)/C(=C/C3=COC4=C(C3=O)C=C(C=C4)Cl)/C(=O)N=C2S1 |
Product Overview
(6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 895833-01-9), with molecular formula C16H9ClN4O3S and molecular weight 372.01 g/mol. IUPAC: (6Z)-6-[(6-chloro-4-oxochromen-3-yl)methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 3.08547 indicates that (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[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 99.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[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)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 895833-01-9.
What is the molecular formula of (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C16H9ClN4O3S.
What is the molecular weight of (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 372.01 g/mol.
Where can I buy (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-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 (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-5-imino-2-methyl-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.