3-(Phenylmethylene)octan-2-one
TL;DR: 3-(Phenylmethylene)octan-2-one (CAS 189507-91-3) is a chemical compound with molecular formula C15H20O and molecular weight 216.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-benzylideneoctan-2-one
Also Known As: 3- octan-2-one, 3-(Phenylmethylene)octan-2-one, EINECS 259-410-5, (E)-3-benzylideneoctan-2-one, 3-(Phenylmethylene)-2-octanone
| Molecular Formula | C15H20O |
|---|---|
| Molecular Weight | 216.15 g/mol |
| LogP | 4.2393 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.15141 |
| Heavy Atoms | 16 |
| Complexity | 348.95752 |
Chemical Identifiers
| CAS Number | 189507-91-3 |
|---|---|
| SMILES | CCCCC/C(=C\C1=CC=CC=C1)/C(=O)C |
Product Overview
3-(Phenylmethylene)octan-2-one (CAS 189507-91-3), with molecular formula C15H20O and molecular weight 216.15 g/mol. IUPAC: (3E)-3-benzylideneoctan-2-one.
Chemical Property Profile of 3-(Phenylmethylene)octan-2-one
Property Insights of 3-(Phenylmethylene)octan-2-one
The XLogP value of 4.2393 indicates that 3-(Phenylmethylene)octan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-(Phenylmethylene)octan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Phenylmethylene)octan-2-one has 0 hydrogen bond donor(s) and 1 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 3-(Phenylmethylene)octan-2-one?
The CAS number of 3-(Phenylmethylene)octan-2-one is 189507-91-3.
What is the molecular formula of 3-(Phenylmethylene)octan-2-one?
The molecular formula of 3-(Phenylmethylene)octan-2-one is C15H20O.
What is the molecular weight of 3-(Phenylmethylene)octan-2-one?
The molecular weight of 3-(Phenylmethylene)octan-2-one is 216.15 g/mol.
Where can I buy 3-(Phenylmethylene)octan-2-one?
You can request a quote for 3-(Phenylmethylene)octan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenylmethylene)octan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylmethylene)octan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.