Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime
TL;DR: Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime (CAS 6813-92-9) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylideneamino]oxypropan-2-ol
Also Known As: O-(2-Hydroxypropyl)-1-acetylbenzocyclobutene oxime, Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-(2-hydroxypropyl)oxime, KETONE, BICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL METHYL, O-(2-HYDROXYPROPYL)OXIME, 1-{[(1-{bicyclo[4.2.0]octa-1,3,5-trien-7-yl}ethylidene)amino]oxy}propan-2-ol, Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone O-(2-hydroxypropyl)oxime
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.0996 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 398.674 |
Chemical Identifiers
| CAS Number | 6813-92-9 |
|---|---|
| SMILES | CC(CO/N=C(\C)/C1CC2=CC=CC=C12)O |
Product Overview
Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime (CAS 6813-92-9), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: 1-[(E)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylideneamino]oxypropan-2-ol.
Chemical Property Profile of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime
Property Insights of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime
The XLogP value of 2.0996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime. With a topological polar surface area (TPSA) of 41.82 Ų, Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime 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-(2-hydroxypropyl)oxime has 1 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 Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime?
The CAS number of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime is 6813-92-9.
What is the molecular formula of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime?
The molecular formula of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime is C13H17NO2.
What is the molecular weight of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime?
The molecular weight of Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime is 219.13 g/mol.
Where can I buy Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime?
You can request a quote for Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime 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-(2-hydroxypropyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.