3-Methyl-5-propyl-2-cyclohexen-1-one, (S)-
TL;DR: 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)- (CAS 3720-16-9) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-3-methyl-5-propylcyclohex-2-en-1-one
Also Known As: (S)-Celery ketone, (+)-Celery ketone, 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)-, 2-Cyclohexen-1-one, 3-methyl-5-propyl-, (5S)-, (5S)-3-methyl-5-propylcyclohex-2-en-1-one
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 3720-16-9 |
|---|---|
| SMILES | CCC[C@H]1CC(=CC(=O)C1)C |
| InChIKey | URQMEZRQHLCJKR-VIFPVBQESA-N |
Product Overview
3-Methyl-5-propyl-2-cyclohexen-1-one, (S)- (CAS 3720-16-9), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: (5S)-3-methyl-5-propylcyclohex-2-en-1-one.
Chemical Property Profile of 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)-
Property Insights of 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)-. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-propyl-2-cyclohexen-1-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 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)-?
The CAS number of 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)- is 3720-16-9.
What is the molecular formula of 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)-?
The molecular formula of 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)- is C10H16O.
What is the molecular weight of 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)-?
The molecular weight of 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)- is 152.12 g/mol.
Where can I buy 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)-?
You can request a quote for 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-propyl-2-cyclohexen-1-one, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.