ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
TL;DR: ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate (CAS 55857-67-5) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: ChemDiv1_008298, DivK1c_002938, CDS1_001898, Ethyl 1-methyl-1,2,3,4-tetrahydro-bet-carboline-3-carboxylate, ethyl 1-methyl-1,2,3,4-tetrahydrobeta-carboline-3-carboxylate
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 55857-67-5 |
|---|---|
| SMILES | CCOC(=O)C1CC2=C(C(N1)C)NC3=CC=CC=C23 |
| InChIKey | DKRAXVHYKRTHRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate (CAS 55857-67-5), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: ethyl 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Property Insights of ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate. With a topological polar surface area (TPSA) of 54.1 Ų, ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate has 2 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 ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
The CAS number of ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate is 55857-67-5.
What is the molecular formula of ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
The molecular formula of ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate is C15H18N2O2.
What is the molecular weight of ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
The molecular weight of ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate is 258.14 g/mol.
Where can I buy ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
You can request a quote for ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.