![(Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate structure](/static/products/877/877787-67-2.png)
(Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate
TL;DR: (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate (CAS 877787-67-2) is a chemical compound with molecular formula C26H23N5O5S and molecular weight 517.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-methoxybenzoate
Also Known As: (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate, [4-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-methoxybenzoate, 4-[(Z)-{5-imino-7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]phenyl 4-methoxybenzoate
| Molecular Formula | C26H23N5O5S |
|---|---|
| Molecular Weight | 517.14 g/mol |
| LogP | 3.54607 |
| Topological Polar Surface Area | 124.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.14197 |
| Heavy Atoms | 37 |
| Complexity | 1358.7311 |
Chemical Identifiers
| CAS Number | 877787-67-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)CC(=O)N5CCCC5 |
Product Overview
(Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate (CAS 877787-67-2), with molecular formula C26H23N5O5S and molecular weight 517.14 g/mol. IUPAC: [4-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-methoxybenzoate.
Chemical Property Profile of (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate
Property Insights of (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate
The XLogP value of 3.54607 indicates that (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate. Following Lipinski's Rule of Five, (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate 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)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate?
The CAS number of (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate is 877787-67-2.
What is the molecular formula of (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate?
The molecular formula of (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate is C26H23N5O5S.
What is the molecular weight of (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate?
The molecular weight of (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate is 517.14 g/mol.
Where can I buy (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate?
You can request a quote for (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.