![CAS 109341-49-3 2,3-dihydro-1H-cyclopenta[b]naphthalen-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/109341-49-3.gif)
CAS RN: 109341-49-3
2,3-dihydro-1H-cyclopenta[b]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.20260104 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-010608
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 | Hong Kong | Inquiry |
109341-49-3 / 1,2-dihydrocyclopenta[b]naphthalen-3-one
2,3-dihydro-1H-cyclopenta[b]naphthalen-1-one | 1,2-dihydrocyclopenta[b]naphthalen-3-one | benz[f]indan-1-one
Basic Information
CAS
109341-49-3
Multi CAS
No
Molecular Formula
C13H10O
Molecular Weight
182.220000
Exact Mass
182.073165
SMILES
C1CC(=O)C2=CC3=CC=CC=C3C=C21
InChI
InChI=1S/C13H10O/c14-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)13/h1-4,7-8H,5-6H2
InChIKey
LWQSMXIFHVPMDA-UHFFFAOYSA-N
Synonyms
2,3-dihydro-1H-cyclopenta[b]naphthalen-1-one
1,2-dihydrocyclopenta[b]naphthalen-3-one
benz[f]indan-1-one
MFCD18647683
1H-Benz[f]inden-1-one, 2,3-dihydro-
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.15
H-bond acceptors
1
Molar refractivity
56.6
TPSA
17.07
LogP / Solubility
WLOGP
2.97
MLOGP
2.61
XLogP3
2.9
Consensus LogP
2.83
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
