![1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea structure](/static/products/496/496799-41-8.png)
1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea
TL;DR: 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea (CAS 496799-41-8) is a chemical compound with molecular formula C20H20Cl2N4O2S and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea
Also Known As: 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea, 1-(5-((4-(tert-butyl)phenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dichlorophenyl)urea, 1-[5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea, 3-(3,4-dichlorophenyl)-1-[5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea, 1-[(2Z)-5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-(3,4-dichlorophenyl)urea
| Molecular Formula | C20H20Cl2N4O2S |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | 6.3654 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.0684 |
| Heavy Atoms | 29 |
| Complexity | 1000.46094 |
Chemical Identifiers
| CAS Number | 496799-41-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl |
Product Overview
1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea (CAS 496799-41-8), with molecular formula C20H20Cl2N4O2S and molecular weight 450.07 g/mol. IUPAC: 1-[5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea.
Chemical Property Profile of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea
Property Insights of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea
The XLogP value of 6.3654 indicates that 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)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-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea. Following Lipinski's Rule of Five, 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea?
The CAS number of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea is 496799-41-8.
What is the molecular formula of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea?
The molecular formula of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea is C20H20Cl2N4O2S.
What is the molecular weight of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea?
The molecular weight of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea is 450.07 g/mol.
Where can I buy 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea?
You can request a quote for 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)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-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4-dichlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.