![(3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one structure](/static/products/621/6216-73-5.png)
(3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
TL;DR: (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one (CAS 6216-73-5) is a chemical compound with molecular formula C24H24N4O5S and molecular weight 480.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-5-imino-6-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one, 2-ethyl-5-imino-6-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C24H24N4O5S |
|---|---|
| Molecular Weight | 480.15 g/mol |
| LogP | 4.19077 |
| Topological Polar Surface Area | 105.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.14673 |
| Heavy Atoms | 34 |
| Complexity | 1207.5995 |
Chemical Identifiers
| CAS Number | 6216-73-5 |
|---|---|
| SMILES | CCC1=NN2C(=N)C(=CC3=CC(=C(C=C3)OCCOC4=CC=CC(=C4)OC)OC)C(=O)N=C2S1 |
Product Overview
(3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one (CAS 6216-73-5), with molecular formula C24H24N4O5S and molecular weight 480.15 g/mol. IUPAC: 2-ethyl-5-imino-6-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Property Insights of (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
The XLogP value of 4.19077 indicates that (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one. Following Lipinski's Rule of Five, (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one has 1 hydrogen bond donor(s) and 8 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 (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one?
The CAS number of (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one is 6216-73-5.
What is the molecular formula of (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one?
The molecular formula of (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one is C24H24N4O5S.
What is the molecular weight of (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one?
The molecular weight of (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one is 480.15 g/mol.
Where can I buy (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one?
You can request a quote for (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-8-ethyl-2-imino-3-[[3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.