3-bromo-3-methylquinoline-2,4(1H,3H)-dione
TL;DR: 3-bromo-3-methylquinoline-2,4(1H,3H)-dione (CAS 168214-53-7) is a chemical compound with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-3-methyl-1H-quinoline-2,4-dione
Also Known As: 3-bromo-3-methylquinoline-2,4(1H,3H)-dione, 3-bromo-3-methyl-1H-quinoline-2,4-dione, 2,4(1H,3H)-Quinolinedione, 3-bromo-3-methyl-
| Molecular Formula | C10H8BrNO2 |
|---|---|
| Molecular Weight | 252.97 g/mol |
| LogP | 1.975 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.97385 |
| Heavy Atoms | 14 |
| Complexity | 425.8851 |
Chemical Identifiers
| CAS Number | 168214-53-7 |
|---|---|
| SMILES | CC1(C(=O)C2=CC=CC=C2NC1=O)Br |
Product Overview
3-bromo-3-methylquinoline-2,4(1H,3H)-dione (CAS 168214-53-7), with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol. IUPAC: 3-bromo-3-methyl-1H-quinoline-2,4-dione.
Chemical Property Profile of 3-bromo-3-methylquinoline-2,4(1H,3H)-dione
Property Insights of 3-bromo-3-methylquinoline-2,4(1H,3H)-dione
The XLogP value of 1.975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-3-methylquinoline-2,4(1H,3H)-dione. With a topological polar surface area (TPSA) of 46.17 Ų, 3-bromo-3-methylquinoline-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-3-methylquinoline-2,4(1H,3H)-dione has 1 hydrogen bond donor(s) and 2 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-3-methylquinoline-2,4(1H,3H)-dione?
The CAS number of 3-bromo-3-methylquinoline-2,4(1H,3H)-dione is 168214-53-7.
What is the molecular formula of 3-bromo-3-methylquinoline-2,4(1H,3H)-dione?
The molecular formula of 3-bromo-3-methylquinoline-2,4(1H,3H)-dione is C10H8BrNO2.
What is the molecular weight of 3-bromo-3-methylquinoline-2,4(1H,3H)-dione?
The molecular weight of 3-bromo-3-methylquinoline-2,4(1H,3H)-dione is 252.97 g/mol.
Where can I buy 3-bromo-3-methylquinoline-2,4(1H,3H)-dione?
You can request a quote for 3-bromo-3-methylquinoline-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-3-methylquinoline-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-3-methylquinoline-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.