CAS RN: 4971-18-0
2-Ethylcyclopentanone
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-155982
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
4971-18-0 / 2-ethylcyclopentan-1-one
Basic Information
CAS
4971-18-0
Multi CAS
Yes
Molecular Formula
C7H12O
Molecular Weight
112.170000
Exact Mass
112.088815
InChI
InChI=1S/C7H12O/c1-2-6-4-3-5-7(6)8/h6H,2-5H2,1H3
InChIKey
PPTKUTYPOKHBTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
32.64
TPSA
17.07
LogP / Solubility
WLOGP
1.77
MLOGP
1.54
XLogP3
1.3
Consensus LogP
1.54
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 6797-13-3 2-Ethylbenzo[d]oxazole molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
Pinacol 2-ethoxy-6-trifluoromethylpyridine-4-borate
- CAS RN: 1256359-30-4
- Product Code: LINP905194
-
Ethyl 5-bromo-1H-pyrrolo-[2,3-c]-pyridine-2-carboxylate
- CAS RN: 800401-70-1
- Product Code: SSC-189056
-
-
-
2-Vinylbenzaldehyde, 97% (stabilized with TBC)
- CAS RN: 28272-96-0
- Product Code: SSC-129171
![CAS 6797-13-3 2-Ethylbenzo[d]oxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/6797-13-3.png)
![CAS 800401-70-1 Ethyl 5-bromo-1H-pyrrolo-[2,3-c]-pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/800401-70-1.png)
