![2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone structure](/static/products/1024/1024677-88-0.webp)
2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone
TL;DR: 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone (CAS 1024677-88-0) is a chemical compound with molecular formula C17H16ClN3O3S2 and molecular weight 409.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-iminothiolan-3-one
Also Known As: 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone, 2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-iminothiolan-3-one
| Molecular Formula | C17H16ClN3O3S2 |
|---|---|
| Molecular Weight | 409.03 g/mol |
| LogP | 4.27607 |
| Topological Polar Surface Area | 96.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.03217 |
| Heavy Atoms | 26 |
| Complexity | 910.6532 |
Chemical Identifiers
| CAS Number | 1024677-88-0 |
|---|---|
| SMILES | CCC1=NN=C(S1)C2C(=O)C(=CC3=CC(=C(C(=C3)Cl)O)OCC)SC2=N |
Product Overview
2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone (CAS 1024677-88-0), with molecular formula C17H16ClN3O3S2 and molecular weight 409.03 g/mol. IUPAC: 2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-iminothiolan-3-one.
Chemical Property Profile of 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone
Property Insights of 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone
The XLogP value of 4.27607 indicates that 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone. Following Lipinski's Rule of Five, 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone?
The CAS number of 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone is 1024677-88-0.
What is the molecular formula of 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone?
The molecular formula of 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone is C17H16ClN3O3S2.
What is the molecular weight of 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone?
The molecular weight of 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone is 409.03 g/mol.
Where can I buy 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone?
You can request a quote for 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Chloro-5-ethoxy-4-hydroxyphenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-3(2H)-thiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.