2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole
TL;DR: 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole (CAS 5094-12-2) is a chemical compound with molecular formula C12H14N2 and molecular weight 186.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
Also Known As: 2-Methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole, 2-Phenoxyphenylboronic acid, 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole, 2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole, Methyl 5-(Morpholinomethyl)benzoate
| Molecular Formula | C12H14N2 |
|---|---|
| Molecular Weight | 186.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.11569 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 5094-12-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)C3=CC=CC=C3N2 |
| InChIKey | FYHWPFXPFFPQRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole (CAS 5094-12-2), with molecular formula C12H14N2 and molecular weight 186.12 g/mol. IUPAC: 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
Chemical Property Profile of 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole
Property Insights of 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole. With a topological polar surface area (TPSA) of 19.0 Ų, 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole has 1 hydrogen bond donor(s) and 1 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-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole?
The CAS number of 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole is 5094-12-2.
What is the molecular formula of 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole?
The molecular formula of 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole is C12H14N2.
What is the molecular weight of 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole?
The molecular weight of 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole is 186.12 g/mol.
Where can I buy 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole?
You can request a quote for 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.