2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
TL;DR: 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one (CAS 17952-87-3) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Also Known As: 6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one, 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one, ChemDiv1_000045, 1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-6-methoxy-, 6-Methoxytetrahydro-1-norharmanone
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 17952-87-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2CCNC3=O |
| InChIKey | PWARHDUWOJUADN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one (CAS 17952-87-3), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one.
Chemical Property Profile of 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
Property Insights of 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one. With a topological polar surface area (TPSA) of 54.1 Ų, 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one has 2 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 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one?
The CAS number of 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one is 17952-87-3.
What is the molecular formula of 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one?
The molecular formula of 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one is C12H12N2O2.
What is the molecular weight of 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one?
The molecular weight of 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one is 216.09 g/mol.
Where can I buy 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one?
You can request a quote for 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.