![1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea structure](/static/products/4262/426234-45-9.webp)
1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
TL;DR: 1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea (CAS 426234-45-9) is a chemical compound with molecular formula C17H15N5O4S and molecular weight 385.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: AB00106278-01, 1-(4-methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea, 1-(4-methylphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea, 1-(5-((4-nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea, 1-(4-methylphenyl)-3-[(2Z)-5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C17H15N5O4S |
|---|---|
| Molecular Weight | 385.08 g/mol |
| LogP | 3.97772 |
| Topological Polar Surface Area | 119.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.08447 |
| Heavy Atoms | 27 |
| Complexity | 940.7174 |
Chemical Identifiers
| CAS Number | 426234-45-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea (CAS 426234-45-9), with molecular formula C17H15N5O4S and molecular weight 385.08 g/mol. IUPAC: 1-(4-methylphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
Property Insights of 1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
The XLogP value of 3.97772 indicates that 1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}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-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
The CAS number of 1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea is 426234-45-9.
What is the molecular formula of 1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
The molecular formula of 1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea is C17H15N5O4S.
What is the molecular weight of 1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
The molecular weight of 1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea is 385.08 g/mol.
Where can I buy 1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
You can request a quote for 1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)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-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.