5-Methyl-2-hepten-4-one, (S)-
TL;DR: 5-Methyl-2-hepten-4-one, (S)- (CAS 122440-59-9) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,5S)-5-methylhept-2-en-4-one
Also Known As: Filbertone, (S)-Filbertone, (+)-Filbertone, Filbertone-,(S)-, Benzyltrichloroacetimidate
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.1777 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 113.736046 |
Chemical Identifiers
| CAS Number | 122440-59-9 |
|---|---|
| SMILES | CC[C@H](C)C(=O)/C=C/C |
Product Overview
5-Methyl-2-hepten-4-one, (S)- (CAS 122440-59-9), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: (E,5S)-5-methylhept-2-en-4-one.
Chemical Property Profile of 5-Methyl-2-hepten-4-one, (S)-
Property Insights of 5-Methyl-2-hepten-4-one, (S)-
The XLogP value of 2.1777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-hepten-4-one, (S)-. With a topological polar surface area (TPSA) of 17.07 Ų, 5-Methyl-2-hepten-4-one, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-hepten-4-one, (S)- 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-Methyl-2-hepten-4-one, (S)-?
The CAS number of 5-Methyl-2-hepten-4-one, (S)- is 122440-59-9.
What is the molecular formula of 5-Methyl-2-hepten-4-one, (S)-?
The molecular formula of 5-Methyl-2-hepten-4-one, (S)- is C8H14O.
What is the molecular weight of 5-Methyl-2-hepten-4-one, (S)-?
The molecular weight of 5-Methyl-2-hepten-4-one, (S)- is 126.10 g/mol.
Where can I buy 5-Methyl-2-hepten-4-one, (S)-?
You can request a quote for 5-Methyl-2-hepten-4-one, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-hepten-4-one, (S)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-hepten-4-one, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.