4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid
TL;DR: 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid (CAS 176045-83-3) is a chemical compound with molecular formula C22H24BrNO3 and molecular weight 429.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-3-methylbutanoic acid
Also Known As: 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid, 1-[(4-Bromophenyl)methyl]-5-methoxy-I(2),2-dimethyl-1H-indole-3-butanoic acid, 4-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-3-yl]-3-methyl-butyric acid, 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butanoic Acid, 4-{1-[(4-Bromophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl}-3-methylbutanoic acid
| Molecular Formula | C22H24BrNO3 |
|---|---|
| Molecular Weight | 429.09 g/mol |
| LogP | 5.42242 |
| Topological Polar Surface Area | 51.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.09396 |
| Heavy Atoms | 27 |
| Complexity | 959.8435 |
Chemical Identifiers
| CAS Number | 176045-83-3 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)CC(C)CC(=O)O |
Product Overview
4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid (CAS 176045-83-3), with molecular formula C22H24BrNO3 and molecular weight 429.09 g/mol. IUPAC: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-3-methylbutanoic acid.
Chemical Property Profile of 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid
Property Insights of 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid
The XLogP value of 5.42242 indicates that 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.46 Ų, 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid?
The CAS number of 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid is 176045-83-3.
What is the molecular formula of 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid?
The molecular formula of 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid is C22H24BrNO3.
What is the molecular weight of 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid?
The molecular weight of 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid is 429.09 g/mol.
Where can I buy 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid?
You can request a quote for 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-(4-Bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.