![(Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate structure](/static/products/847/847859-46-5.png)
(Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate
TL;DR: (Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate (CAS 847859-46-5) is a chemical compound with molecular formula C24H21N5O6S and molecular weight 507.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[(Z)-[5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoate
Also Known As: (Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate, methyl 4-[5-[(Z)-[5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoate, methyl 4-{5-[(Z)-{5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]furan-2-yl}benzoate
| Molecular Formula | C24H21N5O6S |
|---|---|
| Molecular Weight | 507.12 g/mol |
| LogP | 2.60127 |
| Topological Polar Surface Area | 137.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 507.12125 |
| Heavy Atoms | 36 |
| Complexity | 1336.9576 |
Chemical Identifiers
| CAS Number | 847859-46-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)CC(=O)N5CCOCC5 |
Product Overview
(Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate (CAS 847859-46-5), with molecular formula C24H21N5O6S and molecular weight 507.12 g/mol. IUPAC: methyl 4-[5-[(Z)-[5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoate.
Chemical Property Profile of (Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate
Property Insights of (Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate
The XLogP value of 2.60127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate. The TPSA of 137.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-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 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate has 1 hydrogen bond donor(s) and 9 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 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate?
The CAS number of (Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate is 847859-46-5.
What is the molecular formula of (Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate?
The molecular formula of (Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate is C24H21N5O6S.
What is the molecular weight of (Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate?
The molecular weight of (Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate is 507.12 g/mol.
Where can I buy (Z)-methyl 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-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 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-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 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-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 4-(5-((5-imino-2-(2-morpholino-2-oxoethyl)-7-oxo-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.