![1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea structure](/static/products/125/125766-69-0.webp)
1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea
TL;DR: 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea (CAS 125766-69-0) is a chemical compound with molecular formula C17H14N4O3S and molecular weight 354.07867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
Also Known As: 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea, 1-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea, 1-[(2Z)-5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-methylphenyl)urea
Technical Specifications
| Molecular Formula | C17H14N4O3S |
| Molecular Weight | 354.07867 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.07867 Da |
| Heavy Atoms | 25 |
| Complexity | 475.0 |
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4 |
| InChIKey | KYGNUHDRWJUWDP-UHFFFAOYSA-N |
Chemical Property Profile of 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea
Property Insights of 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea
The XLogP value of 3.1 indicates that 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea. Following Lipinski's Rule of Five, 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea?
The CAS number of 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea is 125766-69-0.
What is the molecular formula of 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea?
The molecular formula of 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea is C17H14N4O3S.
What is the molecular weight of 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea?
The molecular weight of 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea is 354.07867 g/mol.
Where can I buy 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea?
You can request a quote for 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea?
Yes, CoreyChem provides custom synthesis services for 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.