(1R)-N-(t-Butoxycarbonyl)anatoxin a
TL;DR: (1R)-N-(t-Butoxycarbonyl)anatoxin a (CAS 90741-53-0) is a chemical compound with molecular formula C15H23NO3 and molecular weight 265.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (1R)-2-acetyl-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate
Also Known As: (1R)-N-(t-Butoxycarbonyl)anatoxin a, Tert-butyl (6R)-5-acetyl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate, 2-(4-methyl-3-pentenyl)-3-methyl-2-cyclohexenyl p-nitrobenzoate, tert-Butyl 2-acetyl-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate, 9-Azabicyclo[4.2.1]non-2-ene-9-carboxylicacid, 2-acetyl-, 1,1-dimethylethyl ester, (1R)- (9CI)
| Molecular Formula | C15H23NO3 |
|---|---|
| Molecular Weight | 265.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.1678 |
| Heavy Atoms | 19 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 90741-53-0 |
|---|---|
| SMILES | CC(=O)C1=CCCC2CC[C@H]1N2C(=O)OC(C)(C)C |
| InChIKey | HEDASSVHQYNXQV-GLGOKHISSA-N |
Product Overview
(1R)-N-(t-Butoxycarbonyl)anatoxin a (CAS 90741-53-0), with molecular formula C15H23NO3 and molecular weight 265.17 g/mol. IUPAC: tert-butyl (1R)-2-acetyl-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate.
Chemical Property Profile of (1R)-N-(t-Butoxycarbonyl)anatoxin a
Property Insights of (1R)-N-(t-Butoxycarbonyl)anatoxin a
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R)-N-(t-Butoxycarbonyl)anatoxin a. With a topological polar surface area (TPSA) of 46.6 Ų, (1R)-N-(t-Butoxycarbonyl)anatoxin a exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R)-N-(t-Butoxycarbonyl)anatoxin a 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 (1R)-N-(t-Butoxycarbonyl)anatoxin a?
The CAS number of (1R)-N-(t-Butoxycarbonyl)anatoxin a is 90741-53-0.
What is the molecular formula of (1R)-N-(t-Butoxycarbonyl)anatoxin a?
The molecular formula of (1R)-N-(t-Butoxycarbonyl)anatoxin a is C15H23NO3.
What is the molecular weight of (1R)-N-(t-Butoxycarbonyl)anatoxin a?
The molecular weight of (1R)-N-(t-Butoxycarbonyl)anatoxin a is 265.17 g/mol.
Where can I buy (1R)-N-(t-Butoxycarbonyl)anatoxin a?
You can request a quote for (1R)-N-(t-Butoxycarbonyl)anatoxin a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R)-N-(t-Butoxycarbonyl)anatoxin a?
Yes, KEHONG BIO provides custom synthesis services for (1R)-N-(t-Butoxycarbonyl)anatoxin a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.