![(6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/297/297161-22-9.png)
(6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 297161-22-9) is a chemical compound with molecular formula C26H26N4O4S and molecular weight 490.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-2-ethyl-5-imino-6-[[3-methoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-2-ethyl-5-imino-6-[[3-methoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C26H26N4O4S |
|---|---|
| Molecular Weight | 490.17 g/mol |
| LogP | 4.91067 |
| Topological Polar Surface Area | 96.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 490.16748 |
| Heavy Atoms | 35 |
| Complexity | 1251.663 |
Chemical Identifiers
| CAS Number | 297161-22-9 |
|---|---|
| SMILES | CCC1=NN2C(=N)/C(=C\C3=CC(=C(C=C3)OCCOC4=CC=CC=C4CC=C)OC)/C(=O)N=C2S1 |
Product Overview
(6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 297161-22-9), with molecular formula C26H26N4O4S and molecular weight 490.17 g/mol. IUPAC: (6E)-2-ethyl-5-imino-6-[[3-methoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 4.91067 indicates that (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-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 96.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-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)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 297161-22-9.
What is the molecular formula of (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C26H26N4O4S.
What is the molecular weight of (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 490.17 g/mol.
Where can I buy (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-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)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-2-ethyl-5-imino-6-(3-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-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.