Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate
TL;DR: Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate (CAS 177202-62-9) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
Also Known As: methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate, Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate, 3-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester, J2.880.941G, methyl1,2,3,4-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 177202-62-9 |
|---|---|
| SMILES | COC(=O)C1CC2=CC=CC=C2NC1 |
| InChIKey | ARAIDTMLOPPTPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate (CAS 177202-62-9), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate
Property Insights of Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate 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 Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate?
The CAS number of Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate is 177202-62-9.
What is the molecular formula of Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate?
The molecular formula of Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate is C11H13NO2.
What is the molecular weight of Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate?
The molecular weight of Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate is 191.09 g/mol.
Where can I buy Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate?
You can request a quote for Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.