(6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one (CAS 383371-34-4) is a chemical compound with molecular formula C28H22N4O5S and molecular weight 526.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[3-ethoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-[[3-ethoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one, (Z)-6-(3-ethoxy-4-((2-nitrobenzyl)oxy)benzylidene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one, 6-({3-ethoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylene)-5-imino-3-phenyl-4-hy dro-1,3-thiazolino[3,2-a]pyrimidin-7-one
| Molecular Formula | C28H22N4O5S |
|---|---|
| Molecular Weight | 526.13 g/mol |
| LogP | 5.87677 |
| Topological Polar Surface Area | 118.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.1311 |
| Heavy Atoms | 38 |
| Complexity | 1531.2035 |
Chemical Identifiers
| CAS Number | 383371-34-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=CSC3=NC2=O)C4=CC=CC=C4)OCC5=CC=CC=C5[N+](=O)[O-] |
Product Overview
(6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one (CAS 383371-34-4), with molecular formula C28H22N4O5S and molecular weight 526.13 g/mol. IUPAC: (6Z)-6-[[3-ethoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 5.87677 indicates that (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one is 383371-34-4.
What is the molecular formula of (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one is C28H22N4O5S.
What is the molecular weight of (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one is 526.13 g/mol.
Where can I buy (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[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-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.