Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime
TL;DR: Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime (CAS 6813-95-2) is a chemical compound with molecular formula C13H15NO and molecular weight 201.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-prop-2-enoxyethanimine
Also Known As: Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-allyloxime, KETONE, BICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL METHYL, O-ALLYLOXIME, Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone O-allyl oxime, (1-{bicyclo[4.2.0]octa-1,3,5-trien-7-yl}ethylidene)(prop-2-en-1-yloxy)amine, RefChem:1088031
| Molecular Formula | C13H15NO |
|---|---|
| Molecular Weight | 201.12 g/mol |
| LogP | 2.9048 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 201.11537 |
| Heavy Atoms | 15 |
| Complexity | 395.27734 |
Chemical Identifiers
| CAS Number | 6813-95-2 |
|---|---|
| SMILES | C/C(=N\OCC=C)/C1CC2=CC=CC=C12 |
Product Overview
Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime (CAS 6813-95-2), with molecular formula C13H15NO and molecular weight 201.12 g/mol. IUPAC: (E)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-prop-2-enoxyethanimine.
Chemical Property Profile of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime
Property Insights of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime
The XLogP value of 2.9048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime. With a topological polar surface area (TPSA) of 21.59 Ų, Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime 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 Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime?
The CAS number of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime is 6813-95-2.
What is the molecular formula of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime?
The molecular formula of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime is C13H15NO.
What is the molecular weight of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime?
The molecular weight of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime is 201.12 g/mol.
Where can I buy Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime?
You can request a quote for Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime?
Yes, KEHONG BIO provides custom synthesis services for Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.