![1-(4-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea structure](/static/products/4262/426252-12-2.webp)
1-(4-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
TL;DR: 1-(4-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea (CAS 426252-12-2) is a chemical compound with molecular formula C18H17N5O5S and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(4-ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea, N-(4-ethoxyphenyl)-N'-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea, 1-(4-ethoxyphenyl)-3-(5-((4-nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea, 1-(4-ethoxyphenyl)-3-[(2Z)-5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C18H17N5O5S |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 4.068 |
| Topological Polar Surface Area | 128.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.09503 |
| Heavy Atoms | 29 |
| Complexity | 975.0667 |
Chemical Identifiers
| CAS Number | 426252-12-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-(4-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea (CAS 426252-12-2), with molecular formula C18H17N5O5S and molecular weight 415.10 g/mol. IUPAC: 1-(4-ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(4-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
Property Insights of 1-(4-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
The XLogP value of 4.068 indicates that 1-(4-Ethoxyphenyl)-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 128.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea. Following Lipinski's Rule of Five, 1-(4-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea has 2 hydrogen bond donor(s) and 8 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-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea?
The CAS number of 1-(4-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea is 426252-12-2.
What is the molecular formula of 1-(4-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea?
The molecular formula of 1-(4-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea is C18H17N5O5S.
What is the molecular weight of 1-(4-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea?
The molecular weight of 1-(4-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea is 415.10 g/mol.
Where can I buy 1-(4-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea?
You can request a quote for 1-(4-Ethoxyphenyl)-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-Ethoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Ethoxyphenyl)-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.