(1E)-1-Phenylhept-1-EN-3-one
TL;DR: (1E)-1-Phenylhept-1-EN-3-one (CAS 41903-83-7) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-phenylhept-1-en-3-one
Also Known As: Butylstyrylketon, Butylstyryl ketone, Butyl[(E)-styryl] ketone, 1-phenylhept-1-en-3-one, 1-Phenyl-1-hepten-3-one
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.4591 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 298.27142 |
Chemical Identifiers
| CAS Number | 41903-83-7 |
|---|---|
| SMILES | CCCCC(=O)/C=C/C1=CC=CC=C1 |
Product Overview
(1E)-1-Phenylhept-1-EN-3-one (CAS 41903-83-7), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: (E)-1-phenylhept-1-en-3-one.
Chemical Property Profile of (1E)-1-Phenylhept-1-EN-3-one
Property Insights of (1E)-1-Phenylhept-1-EN-3-one
The XLogP value of 3.4591 indicates that (1E)-1-Phenylhept-1-EN-3-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, (1E)-1-Phenylhept-1-EN-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1E)-1-Phenylhept-1-EN-3-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 (1E)-1-Phenylhept-1-EN-3-one?
The CAS number of (1E)-1-Phenylhept-1-EN-3-one is 41903-83-7.
What is the molecular formula of (1E)-1-Phenylhept-1-EN-3-one?
The molecular formula of (1E)-1-Phenylhept-1-EN-3-one is C13H16O.
What is the molecular weight of (1E)-1-Phenylhept-1-EN-3-one?
The molecular weight of (1E)-1-Phenylhept-1-EN-3-one is 188.12 g/mol.
Where can I buy (1E)-1-Phenylhept-1-EN-3-one?
You can request a quote for (1E)-1-Phenylhept-1-EN-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-1-Phenylhept-1-EN-3-one?
Yes, KEHONG BIO provides custom synthesis services for (1E)-1-Phenylhept-1-EN-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.