![CAS 19346-17-9 2,3,6,7,8,9-Hexahydro-1H-Cyclopenta[A]Naphthalen-1-One molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/19346-17-9.gif)
CAS RN: 19346-17-9
2,3,6,7,8,9-Hexahydro-1H-Cyclopenta[A]Naphthalen-1-One
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250519 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-090879
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 |
19346-17-9 / 2,3,6,7,8,9-hexahydrocyclopenta[a]naphthalen-1-one
Basic Information
CAS
19346-17-9
Multi CAS
No
Molecular Formula
C13H14O
Molecular Weight
186.250000
Exact Mass
186.104465
SMILES
C1CCC2=C(C1)C=CC3=C2C(=O)CC3
InChI
InChI=1S/C13H14O/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)12/h5-6H,1-4,7-8H2
InChIKey
NYBCPEOJFAJPLJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.46
H-bond acceptors
1
Molar refractivity
55.74
TPSA
17.07
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
3
Consensus LogP
2.69
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
