3-(3,3-Dimethylbutyl)cycloheptanone
TL;DR: 3-(3,3-Dimethylbutyl)cycloheptanone (CAS 40564-95-2) is a chemical compound with molecular formula C13H24O and molecular weight 196.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,3-dimethylbutyl)cycloheptan-1-one
Also Known As: 3- cycloheptanone, 3-(3,3-Dimethylbutyl)cycloheptanone, 3-(3,3-dimethylbutyl)cycloheptan-1-one, Cycloheptanone, 3-(3,3-dimethylbutyl)-, 3-(3,3-Dimethylbutyl)cycloheptanone #
| Molecular Formula | C13H24O |
|---|---|
| Molecular Weight | 196.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.18271 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 40564-95-2 |
|---|---|
| SMILES | CC(C)(C)CCC1CCCCC(=O)C1 |
| InChIKey | VSTJKRMTNDBZND-UHFFFAOYSA-N |
Product Overview
3-(3,3-Dimethylbutyl)cycloheptanone (CAS 40564-95-2), with molecular formula C13H24O and molecular weight 196.18 g/mol. IUPAC: 3-(3,3-dimethylbutyl)cycloheptan-1-one.
Chemical Property Profile of 3-(3,3-Dimethylbutyl)cycloheptanone
Property Insights of 3-(3,3-Dimethylbutyl)cycloheptanone
The XLogP value of 4.2 indicates that 3-(3,3-Dimethylbutyl)cycloheptanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(3,3-Dimethylbutyl)cycloheptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,3-Dimethylbutyl)cycloheptanone 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-(3,3-Dimethylbutyl)cycloheptanone?
The CAS number of 3-(3,3-Dimethylbutyl)cycloheptanone is 40564-95-2.
What is the molecular formula of 3-(3,3-Dimethylbutyl)cycloheptanone?
The molecular formula of 3-(3,3-Dimethylbutyl)cycloheptanone is C13H24O.
What is the molecular weight of 3-(3,3-Dimethylbutyl)cycloheptanone?
The molecular weight of 3-(3,3-Dimethylbutyl)cycloheptanone is 196.18 g/mol.
Where can I buy 3-(3,3-Dimethylbutyl)cycloheptanone?
You can request a quote for 3-(3,3-Dimethylbutyl)cycloheptanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,3-Dimethylbutyl)cycloheptanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,3-Dimethylbutyl)cycloheptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.