![1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea structure](/static/products/1257/125766-63-4.webp)
1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
TL;DR: 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea (CAS 125766-63-4) is a chemical compound with molecular formula C16H11FN4O3S and molecular weight 358.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
Also Known As: BAS 04867296, 1-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea, AB00106182-01, 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea, 1-(5-Benzo[1,3]dioxol-5-yl-[1,3,4]thiadiazol-2-yl)-3-(4-fluoro-phenyl)-urea
| Molecular Formula | C16H11FN4O3S |
|---|---|
| Molecular Weight | 358.05 g/mol |
| LogP | 3.7169 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.0536 |
| Heavy Atoms | 25 |
| Complexity | 929.3842 |
Chemical Identifiers
| CAS Number | 125766-63-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)NC(=O)NC4=CC=C(C=C4)F |
Product Overview
1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea (CAS 125766-63-4), with molecular formula C16H11FN4O3S and molecular weight 358.05 g/mol. IUPAC: 1-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea.
Chemical Property Profile of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
Property Insights of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
The XLogP value of 3.7169 indicates that 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea. Following Lipinski's Rule of Five, 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)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
Frequently Asked Questions
What is the CAS number of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea?
The CAS number of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea is 125766-63-4.
What is the molecular formula of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea?
The molecular formula of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea is C16H11FN4O3S.
What is the molecular weight of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea?
The molecular weight of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea is 358.05 g/mol.
Where can I buy 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea?
You can request a quote for 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.