![(E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide structure](/static/products/515/515850-26-7.png)
(E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide
TL;DR: (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide (CAS 515850-26-7) is a chemical compound with molecular formula C29H28BrN3O3 and molecular weight 545.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide
Also Known As: (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide, N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}acrylamide, (2E)-N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide, (E)-N-(1-BENZYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL)-3-{3-[(4-BROMOPHENOXY)METHYL]-4-METHOXYPHENYL}-2-PROPENAMIDE
| Molecular Formula | C29H28BrN3O3 |
|---|---|
| Molecular Weight | 545.13 g/mol |
| LogP | 6.55024 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.1314 |
| Heavy Atoms | 36 |
| Complexity | 1362.7872 |
Chemical Identifiers
| CAS Number | 515850-26-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)/C=C/C3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)Br |
Product Overview
(E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide (CAS 515850-26-7), with molecular formula C29H28BrN3O3 and molecular weight 545.13 g/mol. IUPAC: (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide.
Chemical Property Profile of (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide
Property Insights of (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide
The XLogP value of 6.55024 indicates that (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide. Following Lipinski's Rule of Five, (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide?
The CAS number of (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide is 515850-26-7.
What is the molecular formula of (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide?
The molecular formula of (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide is C29H28BrN3O3.
What is the molecular weight of (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide?
The molecular weight of (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide is 545.13 g/mol.
Where can I buy (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide?
You can request a quote for (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.