N-methylanatoxin A
TL;DR: N-methylanatoxin A (CAS 122564-66-3) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R)-9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
Also Known As: N-methylanatoxin A, 1-[(6R)-9-methyl-9-azabicyclo[4.2.1]non-4-en-5-yl]ethanone, Ethanone, 1-(9-methyl-9-azabicyclo(4.2.1)non-2-en-2-yl)-, (1R)-
| Molecular Formula | C11H17NO |
|---|---|
| Molecular Weight | 179.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.13101 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 122564-66-3 |
|---|---|
| SMILES | CC(=O)C1=CCCC2CC[C@H]1N2C |
| InChIKey | BBHQBUAEQKZXMW-HCCKASOXSA-N |
Product Overview
N-methylanatoxin A (CAS 122564-66-3), with molecular formula C11H17NO and molecular weight 179.13 g/mol. IUPAC: 1-[(1R)-9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone.
Chemical Property Profile of N-methylanatoxin A
Property Insights of N-methylanatoxin A
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methylanatoxin A. With a topological polar surface area (TPSA) of 20.3 Ų, N-methylanatoxin A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methylanatoxin A has 0 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 N-methylanatoxin A?
The CAS number of N-methylanatoxin A is 122564-66-3.
What is the molecular formula of N-methylanatoxin A?
The molecular formula of N-methylanatoxin A is C11H17NO.
What is the molecular weight of N-methylanatoxin A?
The molecular weight of N-methylanatoxin A is 179.13 g/mol.
Where can I buy N-methylanatoxin A?
You can request a quote for N-methylanatoxin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methylanatoxin A?
Yes, KEHONG BIO provides custom synthesis services for N-methylanatoxin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.