Cycloheptanone, 3-butyl-
TL;DR: Cycloheptanone, 3-butyl- (CAS 136412-38-9) is a chemical compound with molecular formula C11H20O and molecular weight 168.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylcycloheptan-1-one
Also Known As: Cycloheptanone, 3-butyl-, 3-Butylcycloheptanone #, 3-butylcycloheptan-1-one, Cycloheptanone, 3-butyl-, (S)-
| Molecular Formula | C11H20O |
|---|---|
| Molecular Weight | 168.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.15141 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 136412-38-9 |
|---|---|
| SMILES | CCCCC1CCCCC(=O)C1 |
| InChIKey | GFPSZYZCCVSIOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cycloheptanone, 3-butyl- (CAS 136412-38-9), with molecular formula C11H20O and molecular weight 168.15 g/mol. IUPAC: 3-butylcycloheptan-1-one.
Chemical Property Profile of Cycloheptanone, 3-butyl-
Property Insights of Cycloheptanone, 3-butyl-
The XLogP value of 3.5 indicates that Cycloheptanone, 3-butyl- 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, 3-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloheptanone, 3-butyl- 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, 3-butyl-?
The CAS number of Cycloheptanone, 3-butyl- is 136412-38-9.
What is the molecular formula of Cycloheptanone, 3-butyl-?
The molecular formula of Cycloheptanone, 3-butyl- is C11H20O.
What is the molecular weight of Cycloheptanone, 3-butyl-?
The molecular weight of Cycloheptanone, 3-butyl- is 168.15 g/mol.
Where can I buy Cycloheptanone, 3-butyl-?
You can request a quote for Cycloheptanone, 3-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloheptanone, 3-butyl-?
Yes, KEHONG BIO provides custom synthesis services for Cycloheptanone, 3-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.