RefChem:265584
TL;DR: RefChem:265584 (CAS 133994-45-3) 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;1-(tert-butylamino)-3-[2-(1H-indol-4-ylmethyl)phenoxy]propan-2-ol
Also Known As: 1-((1,1-Dimethylethyl)amino)-3-(2-((1H-indol-4-yl)methyl)phenoxy)-2-propanol benzoate, 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-(1H-indol-4-ylmethyl)phenoxy)-, monobenzoate (salt), Benzoic acid--1-(tert-butylamino)-3-{2-[(1H-indol-4-yl)methyl]phenoxy}propan-2-ol (1/1), benzoic acid; 1-(tert-butylamino)-3-[2-(1H-indol-4-ylmethyl)phenoxy]propan-2-ol, RefChem:265584
| Molecular Formula | C29H34N2O4 |
|---|---|
| Molecular Weight | 474.25 g/mol |
| LogP | 5.2713 |
| 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 | 133994-45-3 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1CC2=C3C=CNC3=CC=C2)O.C1=CC=C(C=C1)C(=O)O |
Product Overview
RefChem:265584 (CAS 133994-45-3), with molecular formula C29H34N2O4 and molecular weight 474.25 g/mol. IUPAC: benzoic acid;1-(tert-butylamino)-3-[2-(1H-indol-4-ylmethyl)phenoxy]propan-2-ol.
Chemical Property Profile of RefChem:265584
Property Insights of RefChem:265584
The XLogP value of 5.2713 indicates that RefChem:265584 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 RefChem:265584. Following Lipinski's Rule of Five, RefChem:265584 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 RefChem:265584?
The CAS number of RefChem:265584 is 133994-45-3.
What is the molecular formula of RefChem:265584?
The molecular formula of RefChem:265584 is C29H34N2O4.
What is the molecular weight of RefChem:265584?
The molecular weight of RefChem:265584 is 474.25 g/mol.
Where can I buy RefChem:265584?
You can request a quote for RefChem:265584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:265584?
Yes, KEHONG BIO provides custom synthesis services for RefChem:265584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.