![1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea structure](/static/products/125/125766-54-3.png)
1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea
TL;DR: 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea (CAS 125766-54-3) is a chemical compound with molecular formula C16H11ClN4O3S and molecular weight 374.02 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-chlorophenyl)urea
Also Known As: 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)urea, 1-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea, 1-[(2E)-5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-chlorophenyl)urea
| Molecular Formula | C16H11ClN4O3S |
|---|---|
| Molecular Weight | 374.02 g/mol |
| LogP | 4.2312 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.02405 |
| Heavy Atoms | 25 |
| Complexity | 929.3842 |
Chemical Identifiers
| CAS Number | 125766-54-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)NC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea (CAS 125766-54-3), with molecular formula C16H11ClN4O3S and molecular weight 374.02 g/mol. IUPAC: 1-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea.
Chemical Property Profile of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea
Property Insights of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea
The XLogP value of 4.2312 indicates that 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)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-chlorophenyl)urea. Following Lipinski's Rule of Five, 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)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-chlorophenyl)urea?
The CAS number of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea is 125766-54-3.
What is the molecular formula of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea?
The molecular formula of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea is C16H11ClN4O3S.
What is the molecular weight of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea?
The molecular weight of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea is 374.02 g/mol.
Where can I buy 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea?
You can request a quote for 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)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-chlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.