3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one
TL;DR: 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one (CAS 1024571-10-5) is a chemical compound with molecular formula C15H13BrN2O and molecular weight 316.02112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-bromophenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one
Also Known As: 3-(4-BROMOPHENYL)-7-METHYL-6,7,8-TRIHYDROCINNOLIN-5-ONE, 3-(4-bromophenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one, 3-(4-bromophenyl)-7-methyl-5,6,7,8-tetrahydrocinnolin-5-one, 3-(4-Bromophenyl)-7-methyl-7,8-dihydrocinnolin-5(6H)-one
Technical Specifications
| Molecular Formula | C15H13BrN2O |
| Molecular Weight | 316.02112 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.02112 Da |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
| SMILES | CC1CC2=NN=C(C=C2C(=O)C1)C3=CC=C(C=C3)Br |
| InChIKey | YECDWQJYOAIDMX-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one
Property Insights of 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one. With a topological polar surface area (TPSA) of 42.9 Ų, 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one?
The CAS number of 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one is 1024571-10-5.
What is the molecular formula of 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one?
The molecular formula of 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one is C15H13BrN2O.
What is the molecular weight of 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one?
The molecular weight of 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one is 316.02112 g/mol.
Where can I buy 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one?
You can request a quote for 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one?
Yes, CoreyChem provides custom synthesis services for 3-(4-Bromophenyl)-7-methyl-6,7,8-trihydrocinnolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.