O-Methylakagerine
TL;DR: O-Methylakagerine (CAS 69241-17-4) is a chemical compound with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[(5S)-9-methoxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-7-yl]but-2-enal
Also Known As: O-Methylakagerine, 17-O-Methyl-akagerine, 3,7a-Diazacyclohepta(jk)fluorene-5-acetaldehyde, 1,2,3,3a,4,5,6,7-octahydro-alpha-ethylidene-7-methoxy-3-methyl-, (3aS-(3a-alpha,5-beta(E),7-alpha))-, RefChem:1066164, BRN 0848395
| Molecular Formula | C21H26N2O2 |
|---|---|
| Molecular Weight | 338.20 g/mol |
| LogP | 3.8705 |
| Topological Polar Surface Area | 34.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.19943 |
| Heavy Atoms | 25 |
| Complexity | 835.7788 |
Chemical Identifiers
| CAS Number | 69241-17-4 |
|---|---|
| SMILES | C/C=C(/C=O)\C1C[C@H]2C3=C(CCN2C)C4=CC=CC=C4N3C(C1)OC |
Product Overview
O-Methylakagerine (CAS 69241-17-4), with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol. IUPAC: (E)-2-[(5S)-9-methoxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-7-yl]but-2-enal.
Chemical Property Profile of O-Methylakagerine
Property Insights of O-Methylakagerine
The XLogP value of 3.8705 indicates that O-Methylakagerine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.47 Ų, O-Methylakagerine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Methylakagerine has 0 hydrogen bond donor(s) and 3 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 O-Methylakagerine?
The CAS number of O-Methylakagerine is 69241-17-4.
What is the molecular formula of O-Methylakagerine?
The molecular formula of O-Methylakagerine is C21H26N2O2.
What is the molecular weight of O-Methylakagerine?
The molecular weight of O-Methylakagerine is 338.20 g/mol.
Where can I buy O-Methylakagerine?
You can request a quote for O-Methylakagerine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Methylakagerine?
Yes, KEHONG BIO provides custom synthesis services for O-Methylakagerine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.