5-Hepten-2-one, 6-methyl-5-phenyl-
TL;DR: 5-Hepten-2-one, 6-methyl-5-phenyl- (CAS 18955-99-2) is a chemical compound with molecular formula C14H18O and molecular weight 202.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-5-phenylhept-5-en-2-one
Also Known As: 5-Hepten-2-one, 6-methyl-5-phenyl-, 6-methyl-5-phenylhept-5-en-2-one, 5-Hepten-2-one,6-methyl-5-phenyl, 6-Methyl-5-phenyl-5-hepten-2-one, 6-Methyl-5-phenyl-hept-5-en-2-one
| Molecular Formula | C14H18O |
|---|---|
| Molecular Weight | 202.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.13577 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 18955-99-2 |
|---|---|
| SMILES | CC(=C(CCC(=O)C)C1=CC=CC=C1)C |
| InChIKey | IEVTVVBBIMSMHV-UHFFFAOYSA-N |
Product Overview
5-Hepten-2-one, 6-methyl-5-phenyl- (CAS 18955-99-2), with molecular formula C14H18O and molecular weight 202.14 g/mol. IUPAC: 6-methyl-5-phenylhept-5-en-2-one.
Chemical Property Profile of 5-Hepten-2-one, 6-methyl-5-phenyl-
Property Insights of 5-Hepten-2-one, 6-methyl-5-phenyl-
The XLogP value of 3.7 indicates that 5-Hepten-2-one, 6-methyl-5-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Hepten-2-one, 6-methyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hepten-2-one, 6-methyl-5-phenyl- 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 5-Hepten-2-one, 6-methyl-5-phenyl-?
The CAS number of 5-Hepten-2-one, 6-methyl-5-phenyl- is 18955-99-2.
What is the molecular formula of 5-Hepten-2-one, 6-methyl-5-phenyl-?
The molecular formula of 5-Hepten-2-one, 6-methyl-5-phenyl- is C14H18O.
What is the molecular weight of 5-Hepten-2-one, 6-methyl-5-phenyl-?
The molecular weight of 5-Hepten-2-one, 6-methyl-5-phenyl- is 202.14 g/mol.
Where can I buy 5-Hepten-2-one, 6-methyl-5-phenyl-?
You can request a quote for 5-Hepten-2-one, 6-methyl-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hepten-2-one, 6-methyl-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Hepten-2-one, 6-methyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.