1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea
TL;DR: 1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea (CAS 488122-96-9) is a chemical compound with molecular formula C16H13N5O4S and molecular weight 371.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
Also Known As: 1-(5-((4-nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea, 1-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea, 1-[(2Z)-5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylurea
| Molecular Formula | C16H13N5O4S |
|---|---|
| Molecular Weight | 371.07 g/mol |
| LogP | 3.6693 |
| Topological Polar Surface Area | 119.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.06882 |
| Heavy Atoms | 26 |
| Complexity | 898.51825 |
Chemical Identifiers
| CAS Number | 488122-96-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea (CAS 488122-96-9), with molecular formula C16H13N5O4S and molecular weight 371.07 g/mol. IUPAC: 1-[5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea.
Chemical Property Profile of 1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea
Property Insights of 1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea
The XLogP value of 3.6693 indicates that 1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea 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-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea 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-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The CAS number of 1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea is 488122-96-9.
What is the molecular formula of 1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The molecular formula of 1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea is C16H13N5O4S.
What is the molecular weight of 1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The molecular weight of 1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea is 371.07 g/mol.
Where can I buy 1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
You can request a quote for 1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea 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-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-((4-Nitrophenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.