![1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea structure](/static/products/1257/125766-72-5.webp)
1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
TL;DR: 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea (CAS 125766-72-5) is a chemical compound with molecular formula C17H14N4O4S and molecular weight 370.07 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-methoxyphenyl)urea
Also Known As: BAS 00857933, AB00097051-01, 1-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea, 1-(5-(benzo[d][1,3]dioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea, 1-(5-Benzo[1,3]dioxol-5-yl-[1,3,4]thiadiazol-2-yl)-3-(4-methoxy-phenyl)-urea
| Molecular Formula | C17H14N4O4S |
|---|---|
| Molecular Weight | 370.07 g/mol |
| LogP | 3.5864 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.07358 |
| Heavy Atoms | 26 |
| Complexity | 942.19086 |
Chemical Identifiers
| CAS Number | 125766-72-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4 |
Product Overview
1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea (CAS 125766-72-5), with molecular formula C17H14N4O4S and molecular weight 370.07 g/mol. IUPAC: 1-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea.
Chemical Property Profile of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
Property Insights of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
The XLogP value of 3.5864 indicates that 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 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-methoxyphenyl)urea. Following Lipinski's Rule of Five, 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea has 2 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 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea?
The CAS number of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea is 125766-72-5.
What is the molecular formula of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea?
The molecular formula of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea is C17H14N4O4S.
What is the molecular weight of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea?
The molecular weight of 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea is 370.07 g/mol.
Where can I buy 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea?
You can request a quote for 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)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-methoxyphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.