![1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea structure](/static/products/426/426246-07-3.png)
1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea
TL;DR: 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea (CAS 426246-07-3) is a chemical compound with molecular formula C21H24N4O3S and molecular weight 412.16 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-methoxyphenyl)urea
Also Known As: 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea, 1-(5-((4-(tert-butyl)phenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea, 1-[5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea, N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-N'-(3-methoxyphenyl)urea, 1-[(2Z)-5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-(3-methoxyphenyl)urea
| Molecular Formula | C21H24N4O3S |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 5.0672 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.15692 |
| Heavy Atoms | 29 |
| Complexity | 964.5576 |
Chemical Identifiers
| CAS Number | 426246-07-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)OC |
Product Overview
1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea (CAS 426246-07-3), with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol. IUPAC: 1-[5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea.
Chemical Property Profile of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea
Property Insights of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea
The XLogP value of 5.0672 indicates that 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)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-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea. Following Lipinski's Rule of Five, 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea has 2 hydrogen bond donor(s) and 6 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-methoxyphenyl)urea?
The CAS number of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea is 426246-07-3.
What is the molecular formula of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea?
The molecular formula of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea is C21H24N4O3S.
What is the molecular weight of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea?
The molecular weight of 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea is 412.16 g/mol.
Where can I buy 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea?
You can request a quote for 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-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-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(3-methoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.