9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate
TL;DR: 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate (CAS 85412-79-9) is a chemical compound with molecular formula C20H13N3 and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-quinolin-6-yl-9H-pyrido[3,4-b]indole
Also Known As: Komarovinine, 1-(6-Quinolinyl)-beta-carboline, 1-(Quinolin-6'-yl)-beta-carboline hemihydrate, 1-(quinolin-6-yl)-beta-carboline, 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate
| Molecular Formula | C20H13N3 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 4.9313 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.11096 |
| Heavy Atoms | 23 |
| Complexity | 1171.2676 |
Chemical Identifiers
| CAS Number | 85412-79-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC5=C(C=C4)N=CC=C5 |
Product Overview
9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate (CAS 85412-79-9), with molecular formula C20H13N3 and molecular weight 295.11 g/mol. IUPAC: 1-quinolin-6-yl-9H-pyrido[3,4-b]indole.
Chemical Property Profile of 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate
Property Insights of 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate
The XLogP value of 4.9313 indicates that 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate 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 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate?
The CAS number of 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate is 85412-79-9.
What is the molecular formula of 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate?
The molecular formula of 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate is C20H13N3.
What is the molecular weight of 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate?
The molecular weight of 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate is 295.11 g/mol.
Where can I buy 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate?
You can request a quote for 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.