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1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime structure
Fine Chemical

1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime

TL;DR: 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime (CAS 149929-39-5) is a chemical compound with molecular formula C16H18N2O2 and molecular weight 270.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-[3-(3-methoxyphenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine

Also Known As: PD 142505-0028, (1S,3Z,4R)-1-Azabicyclo[2.2.1]heptan-3-one-O-[3-(3-methoxyphenyl)-2-propyn-1-yl] oxime, 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime

CAS Number
149929-39-5
Molecular Formula
C16H18N2O2
Molecular Weight
270.13684 g/mol
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Application Areas

Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.

Pharmaceutical Intermediates (6 patents)

Technical Specifications

Molecular FormulaC16H18N2O2
Molecular Weight270.13684 g/mol
XLogP2.4
Topological Polar Surface Area (TPSA)34.1 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds4
Exact Mass270.13684 Da
Heavy Atoms20
Complexity434.0
SMILESCOC1=CC=CC(=C1)C#CCON=C2CN3CCC2C3
InChIKeyFXBXWJPMXQHOGD-UHFFFAOYSA-N

Chemical Property Profile of 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime

XLogP
2.4
TPSA (Topological Polar Surface Area)
34.1
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
4
Heavy Atoms
20
Complexity
434.0
Exact Mass
270.13684
Monoisotopic Mass
270.13684
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime

The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime. With a topological polar surface area (TPSA) of 34.1 Ų, 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime?

The CAS number of 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime is 149929-39-5.

What is the molecular formula of 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime?

The molecular formula of 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime is C16H18N2O2.

What is the molecular weight of 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime?

The molecular weight of 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime is 270.13684 g/mol.

Where can I buy 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime?

You can request a quote for 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime?

Yes, CoreyChem provides custom synthesis services for 1-Azabicyclo[2.2.1]heptan-3-one, O-[3-(3-methoxyphenyl)-2-propyn-1-yl]oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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