3-Ethoxy-beta-carboline
TL;DR: 3-Ethoxy-beta-carboline (CAS 97807-25-5) is a chemical compound with molecular formula C13H12N2O and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-9H-pyrido[3,4-b]indole
Also Known As: 3-Ethoxy-beta-carboline, 3-ethoxy-9H-pyrido[3,4-b]indole, 3-ethoxy-9h-, A-carboline, 3-Ethoxy-9H-beta-carboline
| Molecular Formula | C13H12N2O |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 37.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.09496 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 97807-25-5 |
|---|---|
| SMILES | CCOC1=NC=C2C(=C1)C3=CC=CC=C3N2 |
| InChIKey | FNNPSIGQQWCKKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethoxy-beta-carboline (CAS 97807-25-5), with molecular formula C13H12N2O and molecular weight 212.09 g/mol. IUPAC: 3-ethoxy-9H-pyrido[3,4-b]indole.
Chemical Property Profile of 3-Ethoxy-beta-carboline
Property Insights of 3-Ethoxy-beta-carboline
The XLogP value of 3.8 indicates that 3-Ethoxy-beta-carboline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.9 Ų, 3-Ethoxy-beta-carboline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-beta-carboline has 1 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 3-Ethoxy-beta-carboline?
The CAS number of 3-Ethoxy-beta-carboline is 97807-25-5.
What is the molecular formula of 3-Ethoxy-beta-carboline?
The molecular formula of 3-Ethoxy-beta-carboline is C13H12N2O.
What is the molecular weight of 3-Ethoxy-beta-carboline?
The molecular weight of 3-Ethoxy-beta-carboline is 212.09 g/mol.
Where can I buy 3-Ethoxy-beta-carboline?
You can request a quote for 3-Ethoxy-beta-carboline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-beta-carboline?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-beta-carboline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.