RefChem:352586
TL;DR: RefChem:352586 (CAS 133994-41-9) is a chemical compound with molecular formula C29H32N2O4 and molecular weight 472.2362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzoic acid;[2-[3-(tert-butylamino)propoxy]phenyl]-(1H-indol-4-yl)methanone
Also Known As: Methanone, (2-(3-((1,1-dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-yl-, monobenzoate, (2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-ylmethanone monobenzoate, [2-[3-[(1,1-dimethyl ethyl)-amino]-propoxy]-phenyl]-(1H-indol-4-yl)-methanone benzoate, Benzoic acid--{2-[3-(tert-butylamino)propoxy]phenyl}(1H-indol-4-yl)methanone (1/1), benzoic acid; [2-[3-(tert-butylamino)propoxy]phenyl]-(1H-indol-4-yl)methanone
Technical Specifications
| Molecular Formula | C29H32N2O4 |
| Molecular Weight | 472.2362 g/mol |
| XLogP | 5.9407 |
| Topological Polar Surface Area (TPSA) | 91.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.2362 Da |
| Heavy Atoms | 35 |
| Complexity | 563.0 |
| SMILES | CC(C)(C)NCCCOC1=CC=CC=C1C(=O)C2=C3C=CNC3=CC=C2.C1=CC=C(C=C1)C(=O)O |
| InChIKey | MDXIUZWZJMZYSQ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:352586
Property Insights of RefChem:352586
The XLogP value of 5.9407 indicates that RefChem:352586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:352586. Following Lipinski's Rule of Five, RefChem:352586 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:352586?
The CAS number of RefChem:352586 is 133994-41-9.
What is the molecular formula of RefChem:352586?
The molecular formula of RefChem:352586 is C29H32N2O4.
What is the molecular weight of RefChem:352586?
The molecular weight of RefChem:352586 is 472.2362 g/mol.
Where can I buy RefChem:352586?
You can request a quote for RefChem:352586 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:352586?
Yes, CoreyChem provides custom synthesis services for RefChem:352586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.