Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI)
TL;DR: Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI) (CAS 412946-63-5) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylbut-2-enoyl)cyclohexan-1-one
Also Known As: 4-(3-methylbut-2-enoyl)cyclohexan-1-one, Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)- (9CI), CYCLOHEXANONE, 4-(3-METHYL-1-OXO-2-BUTENYL)-
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.281 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 236.81589 |
Chemical Identifiers
| CAS Number | 412946-63-5 |
|---|---|
| SMILES | CC(=CC(=O)C1CCC(=O)CC1)C |
Product Overview
Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI) (CAS 412946-63-5), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 4-(3-methylbut-2-enoyl)cyclohexan-1-one.
Chemical Property Profile of Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI)
Property Insights of Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI)
The XLogP value of 2.281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI). With a topological polar surface area (TPSA) of 34.14 Ų, Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI) has 0 hydrogen bond donor(s) and 2 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 Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI)?
The CAS number of Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI) is 412946-63-5.
What is the molecular formula of Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI)?
The molecular formula of Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI) is C11H16O2.
What is the molecular weight of Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI)?
The molecular weight of Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI) is 180.12 g/mol.
Where can I buy Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI)?
You can request a quote for Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone, 4-(3-methyl-1-oxo-2-butenyl)-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.