3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one
TL;DR: 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one (CAS 1024113-54-9) is a chemical compound with molecular formula C16H17BrN2O and molecular weight 332.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one
Also Known As: 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one, 3-(4-BROMOPHENYL)-4,7-DIMETHYL-1,4,6,7,8-PENTAHYDROCINNOLIN-5-ONE
| Molecular Formula | C16H17BrN2O |
|---|---|
| Molecular Weight | 332.05 g/mol |
| LogP | 3.6456 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.05243 |
| Heavy Atoms | 20 |
| Complexity | 615.86896 |
Chemical Identifiers
| CAS Number | 1024113-54-9 |
|---|---|
| SMILES | CC1CC2=C(C(C(=NN2)C3=CC=C(C=C3)Br)C)C(=O)C1 |
Product Overview
3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one (CAS 1024113-54-9), with molecular formula C16H17BrN2O and molecular weight 332.05 g/mol. IUPAC: 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one.
Chemical Property Profile of 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one
Property Insights of 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one
The XLogP value of 3.6456 indicates that 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.46 Ų, 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one 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 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one?
The CAS number of 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one is 1024113-54-9.
What is the molecular formula of 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one?
The molecular formula of 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one is C16H17BrN2O.
What is the molecular weight of 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one?
The molecular weight of 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one is 332.05 g/mol.
Where can I buy 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one?
You can request a quote for 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromophenyl)-4,7-dimethyl-4,6,7,8-tetrahydro-1H-cinnolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.