alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate
TL;DR: alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate (CAS 133994-49-7) is a chemical compound with molecular formula C29H34N2O4 and molecular weight 474.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoic acid;[2-[3-(tert-butylamino)propoxy]phenyl]-(1H-indol-4-yl)methanol
Also Known As: alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate, 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)propoxy)phenyl)-, monobenzoate (salt), Benzoic acid--{2-[3-(tert-butylamino)propoxy]phenyl}(1H-indol-4-yl)methanol (1/1), benzoic acid; [2-[3-(tert-butylamino)propoxy]phenyl]-(1H-indol-4-yl)methanol, RefChem:239153
| Molecular Formula | C29H34N2O4 |
|---|---|
| Molecular Weight | 474.25 g/mol |
| LogP | 5.7914 |
| Topological Polar Surface Area | 94.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.25186 |
| Heavy Atoms | 35 |
| Complexity | 1212.0741 |
Chemical Identifiers
| CAS Number | 133994-49-7 |
|---|---|
| SMILES | CC(C)(C)NCCCOC1=CC=CC=C1C(C2=C3C=CNC3=CC=C2)O.C1=CC=C(C=C1)C(=O)O |
Product Overview
alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate (CAS 133994-49-7), with molecular formula C29H34N2O4 and molecular weight 474.25 g/mol. IUPAC: benzoic acid;[2-[3-(tert-butylamino)propoxy]phenyl]-(1H-indol-4-yl)methanol.
Chemical Property Profile of alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate
Property Insights of alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate
The XLogP value of 5.7914 indicates that alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.58 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate. Following Lipinski's Rule of Five, alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate has 4 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 alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate?
The CAS number of alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate is 133994-49-7.
What is the molecular formula of alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate?
The molecular formula of alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate is C29H34N2O4.
What is the molecular weight of alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate?
The molecular weight of alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate is 474.25 g/mol.
Where can I buy alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate?
You can request a quote for alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate?
Yes, KEHONG BIO provides custom synthesis services for alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.