![(Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate structure](/static/products/532/532981-54-7.png)
(Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate
TL;DR: (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate (CAS 532981-54-7) is a chemical compound with molecular formula C26H20N4O5S and molecular weight 500.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[(Z)-[5-imino-2-[(2-methylphenoxy)methyl]-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoate
Also Known As: (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate, methyl 2-[5-[(Z)-[5-imino-2-[(2-methylphenoxy)methyl]-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoate, methyl 2-{5-[(Z)-{5-imino-2-[(2-methylphenoxy)methyl]-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]furan-2-yl}benzoate
| Molecular Formula | C26H20N4O5S |
|---|---|
| Molecular Weight | 500.12 g/mol |
| LogP | 4.73979 |
| Topological Polar Surface Area | 117.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.11545 |
| Heavy Atoms | 36 |
| Complexity | 1486.7 |
Chemical Identifiers
| CAS Number | 532981-54-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN3C(=N)/C(=C/C4=CC=C(O4)C5=CC=CC=C5C(=O)OC)/C(=O)N=C3S2 |
Product Overview
(Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate (CAS 532981-54-7), with molecular formula C26H20N4O5S and molecular weight 500.12 g/mol. IUPAC: methyl 2-[5-[(Z)-[5-imino-2-[(2-methylphenoxy)methyl]-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoate.
Chemical Property Profile of (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate
Property Insights of (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate
The XLogP value of 4.73979 indicates that (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate?
The CAS number of (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate is 532981-54-7.
What is the molecular formula of (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate?
The molecular formula of (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate is C26H20N4O5S.
What is the molecular weight of (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate?
The molecular weight of (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate is 500.12 g/mol.
Where can I buy (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate?
You can request a quote for (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-(5-((5-imino-7-oxo-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.