![(6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/4256/425632-85-5.webp)
(6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 425632-85-5) is a chemical compound with molecular formula C16H16N4O3S and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, 5-amino-6-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C16H16N4O3S |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 1.9092 |
| Topological Polar Surface Area | 99.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.0943 |
| Heavy Atoms | 24 |
| Complexity | 979.1044 |
Chemical Identifiers
| CAS Number | 425632-85-5 |
|---|---|
| SMILES | CC(C)C1=NN2C(=C(C(=O)N=C2S1)/C=C/3\C=CC=C(C3=O)OC)N |
Product Overview
(6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 425632-85-5), with molecular formula C16H16N4O3S and molecular weight 344.09 g/mol. IUPAC: 5-amino-6-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 1.9092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. The TPSA of 99.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-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 (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 425632-85-5.
What is the molecular formula of (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C16H16N4O3S.
What is the molecular weight of (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 344.09 g/mol.
Where can I buy (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-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 (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-(2-hydroxy-3-methoxybenzylidene)-5-imino-2-(propan-2-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.