![(Z)-methyl 2-(5-((5-imino-7-oxo-2-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate structure](/static/products/4288/428845-06-1.webp)
(Z)-methyl 2-(5-((5-imino-7-oxo-2-(phenoxymethyl)-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-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate (CAS 428845-06-1) is a chemical compound with molecular formula C25H18N4O5S and molecular weight 486.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[(Z)-[5-imino-7-oxo-2-(phenoxymethyl)-[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-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate, methyl 2-(5-{(Z)-[5-imino-7-oxo-2-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate, METHYL 2-(5-{[(6Z)-5-IMINO-7-OXO-2-(PHENOXYMETHYL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-6-YLIDENE]METHYL}FURAN-2-YL)BENZOATE, methyl 2-[5-[(Z)-[5-imino-7-oxo-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoate
| Molecular Formula | C25H18N4O5S |
|---|---|
| Molecular Weight | 486.10 g/mol |
| LogP | 4.43137 |
| Topological Polar Surface Area | 117.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.0998 |
| Heavy Atoms | 35 |
| Complexity | 1424.3735 |
Chemical Identifiers
| CAS Number | 428845-06-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C2=CC=C(O2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)COC5=CC=CC=C5 |
Product Overview
(Z)-methyl 2-(5-((5-imino-7-oxo-2-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate (CAS 428845-06-1), with molecular formula C25H18N4O5S and molecular weight 486.10 g/mol. IUPAC: methyl 2-[5-[(Z)-[5-imino-7-oxo-2-(phenoxymethyl)-[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-(phenoxymethyl)-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-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate
The XLogP value of 4.43137 indicates that (Z)-methyl 2-(5-((5-imino-7-oxo-2-(phenoxymethyl)-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-(phenoxymethyl)-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-(phenoxymethyl)-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-methyl 2-(5-((5-imino-7-oxo-2-(phenoxymethyl)-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-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate is 428845-06-1.
What is the molecular formula of (Z)-methyl 2-(5-((5-imino-7-oxo-2-(phenoxymethyl)-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-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate is C25H18N4O5S.
What is the molecular weight of (Z)-methyl 2-(5-((5-imino-7-oxo-2-(phenoxymethyl)-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-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate is 486.10 g/mol.
Where can I buy (Z)-methyl 2-(5-((5-imino-7-oxo-2-(phenoxymethyl)-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-(phenoxymethyl)-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-(phenoxymethyl)-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-(phenoxymethyl)-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.