![2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate structure](/static/products/305/30579-53-4.png)
2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate
TL;DR: 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate (CAS 30579-53-4) is a chemical compound with molecular formula C23H25N3O8S and molecular weight 503.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate
Also Known As: 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate, 2-{5-Nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethen-1-yl]-1H-imidazol-1-yl}ethyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C23H25N3O8S |
|---|---|
| Molecular Weight | 503.14 g/mol |
| LogP | 3.70142 |
| Topological Polar Surface Area | 132.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 503.13623 |
| Heavy Atoms | 35 |
| Complexity | 1306.2914 |
Chemical Identifiers
| CAS Number | 30579-53-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=CN=C2/C=C/C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-] |
Product Overview
2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate (CAS 30579-53-4), with molecular formula C23H25N3O8S and molecular weight 503.14 g/mol. IUPAC: 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate
Property Insights of 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate
The XLogP value of 3.70142 indicates that 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate?
The CAS number of 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate is 30579-53-4.
What is the molecular formula of 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate?
The molecular formula of 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate is C23H25N3O8S.
What is the molecular weight of 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate?
The molecular weight of 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate is 503.14 g/mol.
Where can I buy 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate?
You can request a quote for 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-nitro-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.