![(Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate structure](/static/products/848/848731-87-3.png)
(Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate
TL;DR: (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate (CAS 848731-87-3) is a chemical compound with molecular formula C25H24N4O3S2 and molecular weight 492.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-[2-(2-cyclohexylethyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] thiophene-2-carboxylate
Also Known As: (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate, [4-[(Z)-[2-(2-cyclohexylethyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] thiophene-2-carboxylate
| Molecular Formula | C25H24N4O3S2 |
|---|---|
| Molecular Weight | 492.13 g/mol |
| LogP | 5.94697 |
| Topological Polar Surface Area | 95.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.129 |
| Heavy Atoms | 34 |
| Complexity | 1193.2588 |
Chemical Identifiers
| CAS Number | 848731-87-3 |
|---|---|
| SMILES | C1CCC(CC1)CCC2=NN3C(=N)/C(=C/C4=CC=C(C=C4)OC(=O)C5=CC=CS5)/C(=O)N=C3S2 |
Product Overview
(Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate (CAS 848731-87-3), with molecular formula C25H24N4O3S2 and molecular weight 492.13 g/mol. IUPAC: [4-[(Z)-[2-(2-cyclohexylethyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] thiophene-2-carboxylate.
Chemical Property Profile of (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate
Property Insights of (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate
The XLogP value of 5.94697 indicates that (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate. Following Lipinski's Rule of Five, (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 7 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-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate?
The CAS number of (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate is 848731-87-3.
What is the molecular formula of (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate?
The molecular formula of (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate is C25H24N4O3S2.
What is the molecular weight of (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate?
The molecular weight of (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate is 492.13 g/mol.
Where can I buy (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate?
You can request a quote for (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.