![4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone structure](/static/products/1025/1025625-76-6.webp)
4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone
TL;DR: 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone (CAS 1025625-76-6) is a chemical compound with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]thiolan-3-one
Also Known As: 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone, 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]thiolan-3-one
| Molecular Formula | C20H23N3O2S2 |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 4.95879 |
| Topological Polar Surface Area | 75.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.12317 |
| Heavy Atoms | 27 |
| Complexity | 931.3032 |
Chemical Identifiers
| CAS Number | 1025625-76-6 |
|---|---|
| SMILES | CCC1=NN=C(S1)C2C(=O)C(=CC3=CC(=C(C=C3C)OC)C(C)C)SC2=N |
Product Overview
4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone (CAS 1025625-76-6), with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol. IUPAC: 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]thiolan-3-one.
Chemical Property Profile of 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone
Property Insights of 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone
The XLogP value of 4.95879 indicates that 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone. Following Lipinski's Rule of Five, 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone has 1 hydrogen bond donor(s) and 7 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 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone?
The CAS number of 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone is 1025625-76-6.
What is the molecular formula of 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone?
The molecular formula of 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone is C20H23N3O2S2.
What is the molecular weight of 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone?
The molecular weight of 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone is 401.12 g/mol.
Where can I buy 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone?
You can request a quote for 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-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 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Ethyl-1,3,4-thiadiazol-2-yl)dihydro-5-imino-2-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methylene]-3(2H)-thiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.