![2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile structure](/static/products/3811/381196-31-2.webp)
2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile
TL;DR: 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile (CAS 381196-31-2) is a chemical compound with molecular formula C29H22N4O3S and molecular weight 506.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-ethoxy-4-[(5-imino-7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenoxy]methyl]benzonitrile
Also Known As: 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile, 2-[[2-ethoxy-4-[(5-imino-7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenoxy]methyl]benzonitrile
| Molecular Formula | C29H22N4O3S |
|---|---|
| Molecular Weight | 506.14 g/mol |
| LogP | 5.84025 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.14127 |
| Heavy Atoms | 37 |
| Complexity | 1519.6014 |
Chemical Identifiers
| CAS Number | 381196-31-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=C2C(=N)N3C(=CSC3=NC2=O)C4=CC=CC=C4)OCC5=CC=CC=C5C#N |
Product Overview
2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile (CAS 381196-31-2), with molecular formula C29H22N4O3S and molecular weight 506.14 g/mol. IUPAC: 2-[[2-ethoxy-4-[(5-imino-7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenoxy]methyl]benzonitrile.
Chemical Property Profile of 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile
Property Insights of 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile
The XLogP value of 5.84025 indicates that 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile. Following Lipinski's Rule of Five, 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile?
The CAS number of 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile is 381196-31-2.
What is the molecular formula of 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile?
The molecular formula of 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile is C29H22N4O3S.
What is the molecular weight of 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile?
The molecular weight of 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile is 506.14 g/mol.
Where can I buy 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile?
You can request a quote for 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-Ethoxy-4-[(5-imino-7-oxo-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy]methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.