![1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea structure](/static/products/497/497079-19-3.png)
1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea
TL;DR: 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea (CAS 497079-19-3) is a chemical compound with molecular formula C26H26N4O2S and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea, 1-(4-methylphenyl)-3-[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1,3,4-thiadiazol-2-yl]urea, 1-(5-((4-(2-phenylpropan-2-yl)phenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea, 1-(4-methylphenyl)-3-[(2Z)-5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C26H26N4O2S |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 6.39542 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.17764 |
| Heavy Atoms | 33 |
| Complexity | 1203.2976 |
Chemical Identifiers
| CAS Number | 497079-19-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4 |
Product Overview
1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea (CAS 497079-19-3), with molecular formula C26H26N4O2S and molecular weight 458.18 g/mol. IUPAC: 1-(4-methylphenyl)-3-[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea
Property Insights of 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea
The XLogP value of 6.39542 indicates that 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)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-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea. Following Lipinski's Rule of Five, 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)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-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea?
The CAS number of 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea is 497079-19-3.
What is the molecular formula of 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea?
The molecular formula of 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea is C26H26N4O2S.
What is the molecular weight of 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea?
The molecular weight of 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea is 458.18 g/mol.
Where can I buy 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea?
You can request a quote for 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylphenyl)-3-(5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.