![1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea structure](/static/products/4262/426237-49-2.webp)
1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea
TL;DR: 1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea (CAS 426237-49-2) is a chemical compound with molecular formula C16H12BrFN4O2S and molecular weight 421.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
Also Known As: AB00105818-01, 1-{5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea, 1-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea, 1-(5-((4-bromophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea, 3-[5-(4-bromophenoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)urea
| Molecular Formula | C16H12BrFN4O2S |
|---|---|
| Molecular Weight | 421.98 g/mol |
| LogP | 4.6627 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.98483 |
| Heavy Atoms | 25 |
| Complexity | 855.3311 |
Chemical Identifiers
| CAS Number | 426237-49-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Br)F |
Product Overview
1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea (CAS 426237-49-2), with molecular formula C16H12BrFN4O2S and molecular weight 421.98 g/mol. IUPAC: 1-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea.
Chemical Property Profile of 1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea
Property Insights of 1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea
The XLogP value of 4.6627 indicates that 1-{5-[(4-Bromophenoxy)methyl]-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 76.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea. Following Lipinski's Rule of Five, 1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea has 2 hydrogen bond donor(s) and 5 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-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
The CAS number of 1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea is 426237-49-2.
What is the molecular formula of 1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
The molecular formula of 1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea is C16H12BrFN4O2S.
What is the molecular weight of 1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
The molecular weight of 1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea is 421.98 g/mol.
Where can I buy 1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
You can request a quote for 1-{5-[(4-Bromophenoxy)methyl]-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-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.