![6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/5823/5823-91-6.webp)
6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 5823-91-6) is a chemical compound with molecular formula C29H31ClN4O4S and molecular weight 566.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C29H31ClN4O4S |
|---|---|
| Molecular Weight | 566.18 g/mol |
| LogP | 6.88327 |
| Topological Polar Surface Area | 96.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 566.1755 |
| Heavy Atoms | 39 |
| Complexity | 1349.8014 |
Chemical Identifiers
| CAS Number | 5823-91-6 |
|---|---|
| SMILES | CCC1=NN2C(=N)C(=CC3=CC(=C(C(=C3)Cl)OCCOC4=CC=C(C=C4)C5CCCCC5)OC)C(=O)N=C2S1 |
Product Overview
6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 5823-91-6), with molecular formula C29H31ClN4O4S and molecular weight 566.18 g/mol. IUPAC: 6-[[3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 6.88327 indicates that 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-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 96.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one 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 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 5823-91-6.
What is the molecular formula of 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C29H31ClN4O4S.
What is the molecular weight of 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 566.18 g/mol.
Where can I buy 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-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-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6-({3-Chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-ethyl-5-imino-5,6-dihydro-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.