![1-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea structure](/static/products/426/426240-27-9.png)
1-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
TL;DR: 1-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea (CAS 426240-27-9) is a chemical compound with molecular formula C17H15N5O5S and molecular weight 401.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(3-methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea, 1-(3-methoxyphenyl)-3-(5-((4-nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea, 1-(3-methoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea, N-(3-methoxyphenyl)-N'-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea, 1-(3-methoxyphenyl)-3-[(2E)-5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C17H15N5O5S |
|---|---|
| Molecular Weight | 401.08 g/mol |
| LogP | 3.6779 |
| Topological Polar Surface Area | 128.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.07938 |
| Heavy Atoms | 28 |
| Complexity | 976.0793 |
Chemical Identifiers
| CAS Number | 426240-27-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea (CAS 426240-27-9), with molecular formula C17H15N5O5S and molecular weight 401.08 g/mol. IUPAC: 1-(3-methoxyphenyl)-3-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
Property Insights of 1-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
The XLogP value of 3.6779 indicates that 1-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea. Following Lipinski's Rule of Five, 1-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
The CAS number of 1-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea is 426240-27-9.
What is the molecular formula of 1-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
The molecular formula of 1-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea is C17H15N5O5S.
What is the molecular weight of 1-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
The molecular weight of 1-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea is 401.08 g/mol.
Where can I buy 1-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
You can request a quote for 1-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methoxyphenyl)-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.