6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester
TL;DR: 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester (CAS 790226-38-9) is a chemical compound with molecular formula C11H12BrNO2 and molecular weight 269.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate
Also Known As: methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate, 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester, 7089AB, X-1102, 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic
| Molecular Formula | C11H12BrNO2 |
|---|---|
| Molecular Weight | 269.01 g/mol |
| LogP | 2.3488 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.00513 |
| Heavy Atoms | 15 |
| Complexity | 392.17435 |
Chemical Identifiers
| CAS Number | 790226-38-9 |
|---|---|
| SMILES | COC(=O)C1CCC2=C(N1)C=CC(=C2)Br |
Product Overview
6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester (CAS 790226-38-9), with molecular formula C11H12BrNO2 and molecular weight 269.01 g/mol. IUPAC: methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate.
Chemical Property Profile of 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester
Property Insights of 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester
The XLogP value of 2.3488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 38.33 Ų, 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester 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 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester?
The CAS number of 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester is 790226-38-9.
What is the molecular formula of 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester?
The molecular formula of 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester is C11H12BrNO2.
What is the molecular weight of 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester?
The molecular weight of 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester is 269.01 g/mol.
Where can I buy 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester?
You can request a quote for 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.