Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl-
TL;DR: Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl- (CAS 80733-92-2) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,3-dimethyloxiran-2-yl)-3-ethenyl-3-methyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone
Also Known As: Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl-, [5-(3,3-dimethyloxiran-2-yl)-3-ethenyl-3-methyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone, [5-(3,3-Dimethyloxiran-2-yl)-3-ethenyl-3-methyl-3,4-dihydro-2H-pyrrol-2-yl](1H-indol-3-yl)methanone
| Molecular Formula | C20H22N2O2 |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.16812 |
| Heavy Atoms | 24 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 80733-92-2 |
|---|---|
| SMILES | CC1(C(O1)C2=NC(C(C2)(C)C=C)C(=O)C3=CNC4=CC=CC=C43)C |
| InChIKey | LOONMQXJGLSUJE-UHFFFAOYSA-N |
Product Overview
Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl- (CAS 80733-92-2), with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol. IUPAC: [5-(3,3-dimethyloxiran-2-yl)-3-ethenyl-3-methyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone.
Chemical Property Profile of Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl-
Property Insights of Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl-
The XLogP value of 3.1 indicates that Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.8 Ų, Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl- has 1 hydrogen bond donor(s) and 3 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 Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl-?
The CAS number of Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl- is 80733-92-2.
What is the molecular formula of Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl-?
The molecular formula of Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl- is C20H22N2O2.
What is the molecular weight of Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl-?
The molecular weight of Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl- is 322.17 g/mol.
Where can I buy Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl-?
You can request a quote for Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl-?
Yes, KEHONG BIO provides custom synthesis services for Methanone, (5-(3,3-dimethyloxiranyl)-3-ethenyl-3,4-dihydro-3-methyl-2H-pyrrol-2-yl)-1H-indol-3-yl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.