Isoaaptamine
TL;DR: Isoaaptamine (CAS 117173-75-8) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaen-12-ol
Also Known As: Isoaaptamine, methoxy(methyl)[?]ol, NCI60_035809, 8-methoxy-1-methyl-1H-benzo(de)(1,6)naphthyridin-9-ol, 1-Methyl-8-methoxy-1H-benzo[de][1,6]naphthyridin-9-ol
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 117173-75-8 |
|---|---|
| SMILES | CN1C=CC2=NC=CC3=CC(=C(C1=C32)O)OC |
| InChIKey | MPBUGSHDXOJPKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoaaptamine (CAS 117173-75-8), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 11-methoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaen-12-ol.
Chemical Property Profile of Isoaaptamine
Property Insights of Isoaaptamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoaaptamine. With a topological polar surface area (TPSA) of 45.6 Ų, Isoaaptamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoaaptamine has 1 hydrogen bond donor(s) and 4 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 Isoaaptamine?
The CAS number of Isoaaptamine is 117173-75-8.
What is the molecular formula of Isoaaptamine?
The molecular formula of Isoaaptamine is C13H12N2O2.
What is the molecular weight of Isoaaptamine?
The molecular weight of Isoaaptamine is 228.09 g/mol.
Where can I buy Isoaaptamine?
You can request a quote for Isoaaptamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoaaptamine?
Yes, KEHONG BIO provides custom synthesis services for Isoaaptamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.