Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate
TL;DR: Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate (CAS 328282-79-7) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-tert-butylbenzoyl)indole-3-carboxylate
Also Known As: Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate, methyl 1-(4-tert-butylbenzoyl)indole-3-carboxylate, methyl 1-(4-tert-butylbenzoyl)-1H-indole-3-carboxylate, A1588/0068934, Methyl1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate
| Molecular Formula | C21H21NO3 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.15213 |
| Heavy Atoms | 25 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 328282-79-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC |
| InChIKey | KAQVGIJQDFUAFJ-UHFFFAOYSA-N |
Product Overview
Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate (CAS 328282-79-7), with molecular formula C21H21NO3 and molecular weight 335.15 g/mol. IUPAC: methyl 1-(4-tert-butylbenzoyl)indole-3-carboxylate.
Chemical Property Profile of Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate
Property Insights of Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate
The XLogP value of 5.1 indicates that Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate has 0 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 Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate?
The CAS number of Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate is 328282-79-7.
What is the molecular formula of Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate?
The molecular formula of Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate is C21H21NO3.
What is the molecular weight of Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate?
The molecular weight of Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate is 335.15 g/mol.
Where can I buy Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate?
You can request a quote for Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(4-(tert-butyl)benzoyl)-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.