1-benzoyl-2,3-dimethyl-1H-indole
TL;DR: 1-benzoyl-2,3-dimethyl-1H-indole (CAS 53676-44-1) is a chemical compound with molecular formula C17H15NO and molecular weight 249.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-dimethylindol-1-yl)-phenylmethanone
Also Known As: N-benzoyl-2,3-dimethylindole, 2,3-Dimethyl-1-benzoyl-indol, 1-benzoyl-2,3-dimethyl-1H-indole, 1H-indole, 1-benzoyl-2,3-dimethyl-, (2,3-dimethylindol-1-yl)-phenylmethanone
| Molecular Formula | C17H15NO |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.11537 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 53676-44-1 |
|---|---|
| SMILES | CC1=C(N(C2=CC=CC=C12)C(=O)C3=CC=CC=C3)C |
| InChIKey | CPHMUZKVQFIWHN-UHFFFAOYSA-N |
Product Overview
1-benzoyl-2,3-dimethyl-1H-indole (CAS 53676-44-1), with molecular formula C17H15NO and molecular weight 249.12 g/mol. IUPAC: (2,3-dimethylindol-1-yl)-phenylmethanone.
Chemical Property Profile of 1-benzoyl-2,3-dimethyl-1H-indole
Property Insights of 1-benzoyl-2,3-dimethyl-1H-indole
The XLogP value of 4.6 indicates that 1-benzoyl-2,3-dimethyl-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 1-benzoyl-2,3-dimethyl-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzoyl-2,3-dimethyl-1H-indole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-benzoyl-2,3-dimethyl-1H-indole?
The CAS number of 1-benzoyl-2,3-dimethyl-1H-indole is 53676-44-1.
What is the molecular formula of 1-benzoyl-2,3-dimethyl-1H-indole?
The molecular formula of 1-benzoyl-2,3-dimethyl-1H-indole is C17H15NO.
What is the molecular weight of 1-benzoyl-2,3-dimethyl-1H-indole?
The molecular weight of 1-benzoyl-2,3-dimethyl-1H-indole is 249.12 g/mol.
Where can I buy 1-benzoyl-2,3-dimethyl-1H-indole?
You can request a quote for 1-benzoyl-2,3-dimethyl-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzoyl-2,3-dimethyl-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 1-benzoyl-2,3-dimethyl-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.