3-Buten-2-one,4-(3-cyclohexen-1-YL)-
TL;DR: 3-Buten-2-one,4-(3-cyclohexen-1-YL)- (CAS 2817-96-1) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohex-3-en-1-ylbut-3-en-2-one
Also Known As: 4-cyclohex-3-en-1-ylbut-3-en-2-one, 4-(cyclohex-3-en-1-yl)but-3-en-2-one, (E)-4-cyclohex-3-en-1-ylbut-3-en-2-one, 3-BUTEN-2-ONE,4-(3-CYCLOHEXEN-1-YL)-
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 2817-96-1 |
|---|---|
| SMILES | CC(=O)C=CC1CCC=CC1 |
| InChIKey | LFDNNILGCLEANA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Buten-2-one,4-(3-cyclohexen-1-YL)- (CAS 2817-96-1), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 4-cyclohex-3-en-1-ylbut-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one,4-(3-cyclohexen-1-YL)-
Property Insights of 3-Buten-2-one,4-(3-cyclohexen-1-YL)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one,4-(3-cyclohexen-1-YL)-. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Buten-2-one,4-(3-cyclohexen-1-YL)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one,4-(3-cyclohexen-1-YL)- 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-Buten-2-one,4-(3-cyclohexen-1-YL)-?
The CAS number of 3-Buten-2-one,4-(3-cyclohexen-1-YL)- is 2817-96-1.
What is the molecular formula of 3-Buten-2-one,4-(3-cyclohexen-1-YL)-?
The molecular formula of 3-Buten-2-one,4-(3-cyclohexen-1-YL)- is C10H14O.
What is the molecular weight of 3-Buten-2-one,4-(3-cyclohexen-1-YL)-?
The molecular weight of 3-Buten-2-one,4-(3-cyclohexen-1-YL)- is 150.10 g/mol.
Where can I buy 3-Buten-2-one,4-(3-cyclohexen-1-YL)-?
You can request a quote for 3-Buten-2-one,4-(3-cyclohexen-1-YL)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one,4-(3-cyclohexen-1-YL)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one,4-(3-cyclohexen-1-YL)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.