9-甲基-β-咔啉
TL;DR: 9-甲基-β-咔啉 (CAS 6948-03-4) is a chemical compound with molecular formula C12H10N2 and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-甲基-β-咔啉
9-methylpyrido[3,4-b]indole
Also Known As: 9-methyl-9h-pyrido[3,4-b]indole, 9-methylnorharman, 9-methyl-, A-carboline, 9-methyl-beta-carboline
| Molecular Formula | C12H10N2 |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.0844 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 6948-03-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3=C1C=NC=C3 |
| InChIKey | MABOIYXDALNSES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-甲基-β-咔啉 (CAS 6948-03-4), with molecular formula C12H10N2 and molecular weight 182.08 g/mol. IUPAC: 9-methylpyrido[3,4-b]indole.
Chemical Property Profile of 9-甲基-β-咔啉
Property Insights of 9-甲基-β-咔啉
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-甲基-β-咔啉. With a topological polar surface area (TPSA) of 17.8 Ų, 9-甲基-β-咔啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-甲基-β-咔啉 has 0 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 9-甲基-β-咔啉?
The CAS number of 9-甲基-β-咔啉 is 6948-03-4.
What is the molecular formula of 9-甲基-β-咔啉?
The molecular formula of 9-甲基-β-咔啉 is C12H10N2.
What is the molecular weight of 9-甲基-β-咔啉?
The molecular weight of 9-甲基-β-咔啉 is 182.08 g/mol.
Where can I buy 9-甲基-β-咔啉?
You can request a quote for 9-甲基-β-咔啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-甲基-β-咔啉?
Yes, KEHONG BIO provides custom synthesis services for 9-甲基-β-咔啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.