1-(1-Oxobutyl)-1H-indole
TL;DR: 1-(1-Oxobutyl)-1H-indole (CAS 93941-01-6) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-indol-1-ylbutan-1-one
Also Known As: 1-(1-Oxobutyl)-1H-indole, 1-Butanoyl-1H-indole, 1-(1h-indol-1-yl)butan-1-one, 1-indol-1-ylbutan-1-one, EINECS 300-500-1
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 93941-01-6 |
|---|---|
| SMILES | CCCC(=O)N1C=CC2=CC=CC=C21 |
| InChIKey | AJZZYHUKCOKFPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1-Oxobutyl)-1H-indole (CAS 93941-01-6), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 1-indol-1-ylbutan-1-one.
Chemical Property Profile of 1-(1-Oxobutyl)-1H-indole
Property Insights of 1-(1-Oxobutyl)-1H-indole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Oxobutyl)-1H-indole. With a topological polar surface area (TPSA) of 22.0 Ų, 1-(1-Oxobutyl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Oxobutyl)-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-(1-Oxobutyl)-1H-indole?
The CAS number of 1-(1-Oxobutyl)-1H-indole is 93941-01-6.
What is the molecular formula of 1-(1-Oxobutyl)-1H-indole?
The molecular formula of 1-(1-Oxobutyl)-1H-indole is C12H13NO.
What is the molecular weight of 1-(1-Oxobutyl)-1H-indole?
The molecular weight of 1-(1-Oxobutyl)-1H-indole is 187.10 g/mol.
Where can I buy 1-(1-Oxobutyl)-1H-indole?
You can request a quote for 1-(1-Oxobutyl)-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-(1-Oxobutyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Oxobutyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.