![3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide structure](/static/products/512/512825-31-9.png)
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide
TL;DR: 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide (CAS 512825-31-9) is a chemical compound with molecular formula C31H27BrN2O6 and molecular weight 602.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]prop-2-enamide
Also Known As: 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide, (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]prop-2-enamide, (2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]prop-2-enamide, (E)-3-{3-[(4-BROMOPHENOXY)METHYL]-4-METHOXYPHENYL}-N-[3-(3,5-DIMETHYLPHENOXY)-5-NITROPHENYL]-2-PROPENAMIDE
| Molecular Formula | C31H27BrN2O6 |
|---|---|
| Molecular Weight | 602.11 g/mol |
| LogP | 8.00594 |
| Topological Polar Surface Area | 99.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 602.1052 |
| Heavy Atoms | 40 |
| Complexity | 1546.8467 |
Chemical Identifiers
| CAS Number | 512825-31-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)/C=C/C3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)Br)C |
Product Overview
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide (CAS 512825-31-9), with molecular formula C31H27BrN2O6 and molecular weight 602.11 g/mol. IUPAC: (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]prop-2-enamide.
Chemical Property Profile of 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide
Property Insights of 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide
The XLogP value of 8.00594 indicates that 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide. Following Lipinski's Rule of Five, 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide has 1 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 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide?
The CAS number of 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide is 512825-31-9.
What is the molecular formula of 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide?
The molecular formula of 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide is C31H27BrN2O6.
What is the molecular weight of 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide?
The molecular weight of 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide is 602.11 g/mol.
Where can I buy 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide?
You can request a quote for 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{3-(3,5-dimethylphenoxy)-5-nitrophenyl}acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.