![1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea structure](/static/products/5975/5975-45-1.webp)
1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea
TL;DR: 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea (CAS 5975-45-1) is a chemical compound with molecular formula C26H26N6O3S and molecular weight 502.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea
Also Known As: 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea, N-{1-[5-(Benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]ethyl}-N'-(2,3-dimethylphenyl)urea
| Molecular Formula | C26H26N6O3S |
|---|---|
| Molecular Weight | 502.18 g/mol |
| LogP | 5.96734 |
| Topological Polar Surface Area | 114.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.1787 |
| Heavy Atoms | 36 |
| Complexity | 1372.4573 |
Chemical Identifiers
| CAS Number | 5975-45-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)NC(C)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4)C |
Product Overview
1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea (CAS 5975-45-1), with molecular formula C26H26N6O3S and molecular weight 502.18 g/mol. IUPAC: 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea.
Chemical Property Profile of 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea
Property Insights of 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea
The XLogP value of 5.96734 indicates that 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea. Following Lipinski's Rule of Five, 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea?
The CAS number of 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea is 5975-45-1.
What is the molecular formula of 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea?
The molecular formula of 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea is C26H26N6O3S.
What is the molecular weight of 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea?
The molecular weight of 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea is 502.18 g/mol.
Where can I buy 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea?
You can request a quote for 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.