methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate
TL;DR: methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate (CAS 139525-70-5) is a chemical compound with molecular formula C11H12BrNO2 and molecular weight 269.00513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate
Also Known As: methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate, methyl 6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate, methyl 6-bromo-1,2,3,4-tetrahydroquinoline-1-carboxylate, 1(2H)-Quinolinecarboxylic acid, 6-bromo-3,4-dihydro-, methyl ester, methyl 6-bromo-1,2,3,4-tetrahydroquinolinecarboxylate
Technical Specifications
| Molecular Formula | C11H12BrNO2 |
| Molecular Weight | 269.00513 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.00513 Da |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| SMILES | COC(=O)N1CCCC2=C1C=CC(=C2)Br |
| InChIKey | LQWWASVTOHDXMW-UHFFFAOYSA-N |
Chemical Property Profile of methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate
Property Insights of methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate?
The CAS number of methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate is 139525-70-5.
What is the molecular formula of methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate?
The molecular formula of methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate is C11H12BrNO2.
What is the molecular weight of methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate?
The molecular weight of methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate is 269.00513 g/mol.
Where can I buy methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate?
You can request a quote for methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.