![{2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid structure](/static/products/5096/5096-40-2.webp)
{2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid
TL;DR: {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid (CAS 5096-40-2) is a chemical compound with molecular formula C28H29NO4 and molecular weight 443.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-ethoxy-4-phenylmethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
Also Known As: {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid, 2-[2-(3-ethoxy-4-phenylmethoxy-phenyl)-7-propan-2-yl-1H-indol-3-yl]acetic Acid, 2-[2-(3-ethoxy-4-phenylmethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
| Molecular Formula | C28H29NO4 |
|---|---|
| Molecular Weight | 443.21 g/mol |
| LogP | 6.5631 |
| Topological Polar Surface Area | 71.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.20966 |
| Heavy Atoms | 33 |
| Complexity | 1257.8789 |
Chemical Identifiers
| CAS Number | 5096-40-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2=C(C3=C(N2)C(=CC=C3)C(C)C)CC(=O)O)OCC4=CC=CC=C4 |
Product Overview
{2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid (CAS 5096-40-2), with molecular formula C28H29NO4 and molecular weight 443.21 g/mol. IUPAC: 2-[2-(3-ethoxy-4-phenylmethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid.
Chemical Property Profile of {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid
Property Insights of {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid
The XLogP value of 6.5631 indicates that {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.55 Ų falls within the moderate polarity range, balancing permeability and solubility for {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid. Following Lipinski's Rule of Five, {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid?
The CAS number of {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid is 5096-40-2.
What is the molecular formula of {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid?
The molecular formula of {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid is C28H29NO4.
What is the molecular weight of {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid?
The molecular weight of {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid is 443.21 g/mol.
Where can I buy {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid?
You can request a quote for {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {2-[4-(Benzyloxy)-3-ethoxyphenyl]-7-(propan-2-yl)-1H-indol-3-yl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.