![6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/4026/402608-93-9.webp)
6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one (CAS 402608-93-9) is a chemical compound with molecular formula C23H21BrN4O5S2 and molecular weight 576.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-bromo-6-ethoxy-4-[(2-ethyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-methylbenzenesulfonate
Also Known As: 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one, [2-bromo-6-ethoxy-4-[(2-ethyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-methylbenzenesulfonate
| Molecular Formula | C23H21BrN4O5S2 |
|---|---|
| Molecular Weight | 576.01 g/mol |
| LogP | 4.95309 |
| Topological Polar Surface Area | 121.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 576.0137 |
| Heavy Atoms | 35 |
| Complexity | 1416.1304 |
Chemical Identifiers
| CAS Number | 402608-93-9 |
|---|---|
| SMILES | CCC1=NN2C(=N)C(=CC3=CC(=C(C(=C3)Br)OS(=O)(=O)C4=CC=C(C=C4)C)OCC)C(=O)N=C2S1 |
Product Overview
6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one (CAS 402608-93-9), with molecular formula C23H21BrN4O5S2 and molecular weight 576.01 g/mol. IUPAC: [2-bromo-6-ethoxy-4-[(2-ethyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 4.95309 indicates that 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one 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 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is 402608-93-9.
What is the molecular formula of 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is C23H21BrN4O5S2.
What is the molecular weight of 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is 576.01 g/mol.
Where can I buy 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[[3-Bromo-5-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]-2-ethyl-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.