Cycloheptanone, 2-(3-buten-1-yl)-
TL;DR: Cycloheptanone, 2-(3-buten-1-yl)- (CAS 33015-80-4) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-but-3-enylcycloheptan-1-one
Also Known As: 2-(3-Butenyl)cycloheptanone, 2-(3'-butenyl)-cycloheptanone, 2-but-3-enylcycloheptan-1-one, 2-(3-Butenyl)cycloheptanone #, Cycloheptanone, 2-(3-buten-1-yl)-
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 33015-80-4 |
|---|---|
| SMILES | C=CCCC1CCCCCC1=O |
| InChIKey | VKOGGZYZOPAFAH-UHFFFAOYSA-N |
Product Overview
Cycloheptanone, 2-(3-buten-1-yl)- (CAS 33015-80-4), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 2-but-3-enylcycloheptan-1-one.
Chemical Property Profile of Cycloheptanone, 2-(3-buten-1-yl)-
Property Insights of Cycloheptanone, 2-(3-buten-1-yl)-
The XLogP value of 3.0 indicates that Cycloheptanone, 2-(3-buten-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Cycloheptanone, 2-(3-buten-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloheptanone, 2-(3-buten-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 Cycloheptanone, 2-(3-buten-1-yl)-?
The CAS number of Cycloheptanone, 2-(3-buten-1-yl)- is 33015-80-4.
What is the molecular formula of Cycloheptanone, 2-(3-buten-1-yl)-?
The molecular formula of Cycloheptanone, 2-(3-buten-1-yl)- is C11H18O.
What is the molecular weight of Cycloheptanone, 2-(3-buten-1-yl)-?
The molecular weight of Cycloheptanone, 2-(3-buten-1-yl)- is 166.14 g/mol.
Where can I buy Cycloheptanone, 2-(3-buten-1-yl)-?
You can request a quote for Cycloheptanone, 2-(3-buten-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloheptanone, 2-(3-buten-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Cycloheptanone, 2-(3-buten-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.