3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one
TL;DR: 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one (CAS 327082-74-6) is a chemical compound with molecular formula C16H16BrNO and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one
Also Known As: 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one, 3-Bromo-2-methyl-1-p-tolyl-1,5,6,7-tetrahydro-indol-4-one, 3-bromo-2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one, 3-bromo-2-methyl-1-(p-tolyl)-6,7-dihydro-5H-indol-4-one
| Molecular Formula | C16H16BrNO |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 4.37564 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.04153 |
| Heavy Atoms | 19 |
| Complexity | 652.3787 |
Chemical Identifiers
| CAS Number | 327082-74-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C3=C2CCCC3=O)Br)C |
Product Overview
3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one (CAS 327082-74-6), with molecular formula C16H16BrNO and molecular weight 317.04 g/mol. IUPAC: 3-bromo-2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one.
Chemical Property Profile of 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one
Property Insights of 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one
The XLogP value of 4.37564 indicates that 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one 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 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one?
The CAS number of 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one is 327082-74-6.
What is the molecular formula of 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one?
The molecular formula of 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one is C16H16BrNO.
What is the molecular weight of 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one?
The molecular weight of 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one is 317.04 g/mol.
Where can I buy 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one?
You can request a quote for 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-2-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.