![(E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one structure](/static/products/900/900258-79-9.png)
(E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
TL;DR: (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one (CAS 900258-79-9) is a chemical compound with molecular formula C26H24N4O4S and molecular weight 488.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-8-ethoxy-4-imino-3-[[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]methylidene]pyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one, (3E)-8-ethoxy-4-imino-3-({1-[2-(2-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one, (3E)-8-ethoxy-4-imino-3-[[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]methylidene]pyrimido[2,1-b][1,3]benzothiazol-2-one
| Molecular Formula | C26H24N4O4S |
|---|---|
| Molecular Weight | 488.15 g/mol |
| LogP | 4.84357 |
| Topological Polar Surface Area | 89.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.15182 |
| Heavy Atoms | 35 |
| Complexity | 1360.8866 |
Chemical Identifiers
| CAS Number | 900258-79-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N3C(=N)/C(=C\C4=CC=CN4CCOC5=CC=CC=C5OC)/C(=O)N=C3S2 |
Product Overview
(E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one (CAS 900258-79-9), with molecular formula C26H24N4O4S and molecular weight 488.15 g/mol. IUPAC: (3E)-8-ethoxy-4-imino-3-[[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]methylidene]pyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
Property Insights of (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
The XLogP value of 4.84357 indicates that (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one. Following Lipinski's Rule of Five, (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-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 (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
The CAS number of (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is 900258-79-9.
What is the molecular formula of (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
The molecular formula of (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is C26H24N4O4S.
What is the molecular weight of (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
The molecular weight of (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is 488.15 g/mol.
Where can I buy (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
You can request a quote for (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-ethoxy-4-imino-3-((1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.